1-N'-[(3R,4S)-4-cyclopropyl-1-[(5-propylfuran-2-yl)methyl]pyrrolidin-3-yl]cyclopropane-1,1-dicarboxamide;hydrochloride

C20H30ClN3O3 — CID 154899034

IUPAC1-N'-[(3R,4S)-4-cyclopropyl-1-[(5-propylfuran-2-yl)methyl]pyrrolidin-3-yl]cyclopropane-1,1-dicarboxamide;hydrochloride
SMILESCCCc1ccc(CN2C[C@H](NC(=O)C3(C(N)=O)CC3)[C@@H](C3CC3)C2)o1.Cl
InChIInChI=1S/C20H29N3O3.ClH/c1-2-3-14-6-7-15(26-14)10-23-11-16(13-4-5-13)17(12-23)22-19(25)20(8-9-20)18(21)24;/h6-7,13,16-17H,2-5,8-12H2,1H3,(H2,21,24)(H,22,25);1H/t16-,17+;/m1./s1
InChIKeyHEFPBNGKTLEHJR-PPPUBMIESA-N
MW395.93 g/mol
LogP2.25
Rot. Bonds8

About 1-N'-[(3R,4S)-4-cyclopropyl-1-[(5-propylfuran-2-yl)methyl]pyrrolidin-3-yl]cyclopropane-1,1-dicarboxamide;hydrochloride

1-N'-[(3R,4S)-4-cyclopropyl-1-[(5-propylfuran-2-yl)methyl]pyrrolidin-3-yl]cyclopropane-1,1-dicarboxamide;hydrochloride (PubChem CID 154899034) has the molecular formula C20H30ClN3O3 and a molecular weight of 395.93 g/mol. Its IUPAC name is 1-N'-[(3R,4S)-4-cyclopropyl-1-[(5-propylfuran-2-yl)methyl]pyrrolidin-3-yl]cyclopropane-1,1-dicarboxamide;hydrochloride.

Molecular Properties

Compound Name1-N'-[(3R,4S)-4-cyclopropyl-1-[(5-propylfuran-2-yl)methyl]pyrrolidin-3-yl]cyclopropane-1,1-dicarboxamide;hydrochloride
PubChem CID154899034
Molecular FormulaC20H30ClN3O3
Molecular Weight395.93 g/mol
Exact Mass395.20
IUPAC Name1-N'-[(3R,4S)-4-cyclopropyl-1-[(5-propylfuran-2-yl)methyl]pyrrolidin-3-yl]cyclopropane-1,1-dicarboxamide;hydrochloride
SMILESCCCc1ccc(CN2C[C@H](NC(=O)C3(C(N)=O)CC3)[C@@H](C3CC3)C2)o1.Cl
InChIInChI=1S/C20H29N3O3.ClH/c1-2-3-14-6-7-15(26-14)10-23-11-16(13-4-5-13)17(12-23)22-19(25)20(8-9-20)18(21)24;/h6-7,13,16-17H,2-5,8-12H2,1H3,(H2,21,24)(H,22,25);1H/t16-,17+;/m1./s1
InChIKeyHEFPBNGKTLEHJR-PPPUBMIESA-N
XLogP2.25
TPSA88.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.93
LogP ≤ 52.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'beta-keto/anhydride', 'substructure': 'N/A'}

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Related Compounds

1-N'-[(3S,4R)-1-[(2-cyanophenyl)methyl]-4-propan-2-ylpyrrolidin-3-yl]cyclopropane-1,1-dicarboxamide
CID 133131739
1-N'-[(3R,4S)-1-[(2-cyanophenyl)methyl]-4-propan-2-ylpyrrolidin-3-yl]cyclopropane-1,1-dicarboxamide
CID 72837657
N-[(3S,4R)-1-benzyl-4-cyclopropylpyrrolidin-3-yl]-4-cyanooxane-4-carboxamide
CID 133121305
(1-benzyl-4-cyclopropylpyrrolidin-3-yl)carbamic acid
CID 90406485
(3S,4S)-4-(hydroxymethyl)-1-[(5-propylfuran-2-yl)methyl]piperidin-3-ol
CID 133125674
5-[(4,4-dimethylpiperidin-1-yl)methyl]furan-2-carbohydrazide
CID 55213258
tert-butyl N-[(3aS,4R,6aS)-2-[(5-cyanofuran-2-yl)methyl]-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-4-yl]carbamate
CID 98888918
N-[(3R,4R)-3-hydroxy-1-[(5-propylfuran-2-yl)methyl]piperidin-4-yl]pyridine-2-carboxamide
CID 70783420
2-[1-[(5-propylfuran-2-yl)methyl]azetidin-3-yl]pyridine
CID 56905779
tert-butyl N-[(3R,4R)-1-benzyl-4-cyclopropylpyrrolidin-3-yl]carbamate
CID 102069021
N-[[5-[(3,4-dimethylpyrrolidin-1-yl)methyl]furan-2-yl]methyl]ethanamine
CID 79184609
10-methyl-3-[(5-propylfuran-2-yl)methyl]-3,10-diazaspiro[5.6]dodecan-9-one
CID 56720180

Frequently Asked Questions

What is the IUPAC name of 1-N'-[(3R,4S)-4-cyclopropyl-1-[(5-propylfuran-2-yl)methyl]pyrrolidin-3-yl]cyclopropane-1,1-dicarboxamide;hydrochloride?
The IUPAC name of 1-N'-[(3R,4S)-4-cyclopropyl-1-[(5-propylfuran-2-yl)methyl]pyrrolidin-3-yl]cyclopropane-1,1-dicarboxamide;hydrochloride (CID 154899034) is 1-N'-[(3R,4S)-4-cyclopropyl-1-[(5-propylfuran-2-yl)methyl]pyrrolidin-3-yl]cyclopropane-1,1-dicarboxamide;hydrochloride.
What is the SMILES notation for 1-N'-[(3R,4S)-4-cyclopropyl-1-[(5-propylfuran-2-yl)methyl]pyrrolidin-3-yl]cyclopropane-1,1-dicarboxamide;hydrochloride?
The canonical SMILES for 1-N'-[(3R,4S)-4-cyclopropyl-1-[(5-propylfuran-2-yl)methyl]pyrrolidin-3-yl]cyclopropane-1,1-dicarboxamide;hydrochloride is CCCc1ccc(CN2C[C@H](NC(=O)C3(C(N)=O)CC3)[C@@H](C3CC3)C2)o1.Cl.
What is the InChIKey of 1-N'-[(3R,4S)-4-cyclopropyl-1-[(5-propylfuran-2-yl)methyl]pyrrolidin-3-yl]cyclopropane-1,1-dicarboxamide;hydrochloride?
The InChIKey is HEFPBNGKTLEHJR-PPPUBMIESA-N. The full InChI is InChI=1S/C20H29N3O3.ClH/c1-2-3-14-6-7-15(26-14)10-23-11-16(13-4-5-13)17(12-23)22-19(25)20(8-9-20)18(21)24;/h6-7,13,16-17H,2-5,8-12H2,1H3,(H2,21,24)(H,22,25);1H/t16-,17+;/m1./s1.
What are the key properties of 1-N'-[(3R,4S)-4-cyclopropyl-1-[(5-propylfuran-2-yl)methyl]pyrrolidin-3-yl]cyclopropane-1,1-dicarboxamide;hydrochloride?
1-N'-[(3R,4S)-4-cyclopropyl-1-[(5-propylfuran-2-yl)methyl]pyrrolidin-3-yl]cyclopropane-1,1-dicarboxamide;hydrochloride has a molecular weight of 395.93 g/mol, XLogP of 2.25, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-N'-[(3R,4S)-4-cyclopropyl-1-[(5-propylfuran-2-yl)methyl]pyrrolidin-3-yl]cyclopropane-1,1-dicarboxamide;hydrochloride is sourced from PubChem (CID 154899034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).