cyclopropyl-[(3S)-3-[(3S)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carbonyl]piperidin-1-yl]methanone

C19H28N4O2 — CID 97319161

IUPACcyclopropyl-[(3S)-3-[(3S)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carbonyl]piperidin-1-yl]methanone
SMILESCn1cc(C[C@H]2CCN(C(=O)[C@H]3CCCN(C(=O)C4CC4)C3)C2)cn1
InChIInChI=1S/C19H28N4O2/c1-21-11-15(10-20-21)9-14-6-8-23(12-14)19(25)17-3-2-7-22(13-17)18(24)16-4-5-16/h10-11,14,16-17H,2-9,12-13H2,1H3/t14-,17+/m1/s1
InChIKeyXCNUWYUCHWOGCX-PBHICJAKSA-N
MW344.46 g/mol
LogP1.46
Rot. Bonds4

About cyclopropyl-[(3S)-3-[(3S)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carbonyl]piperidin-1-yl]methanone

cyclopropyl-[(3S)-3-[(3S)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carbonyl]piperidin-1-yl]methanone (PubChem CID 97319161) has the molecular formula C19H28N4O2 and a molecular weight of 344.46 g/mol. Its IUPAC name is cyclopropyl-[(3S)-3-[(3S)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carbonyl]piperidin-1-yl]methanone.

Molecular Properties

Compound Namecyclopropyl-[(3S)-3-[(3S)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carbonyl]piperidin-1-yl]methanone
PubChem CID97319161
Molecular FormulaC19H28N4O2
Molecular Weight344.46 g/mol
Exact Mass344.22
IUPAC Namecyclopropyl-[(3S)-3-[(3S)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carbonyl]piperidin-1-yl]methanone
SMILESCn1cc(C[C@H]2CCN(C(=O)[C@H]3CCCN(C(=O)C4CC4)C3)C2)cn1
InChIInChI=1S/C19H28N4O2/c1-21-11-15(10-20-21)9-14-6-8-23(12-14)19(25)17-3-2-7-22(13-17)18(24)16-4-5-16/h10-11,14,16-17H,2-9,12-13H2,1H3/t14-,17+/m1/s1
InChIKeyXCNUWYUCHWOGCX-PBHICJAKSA-N
XLogP1.46
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 51.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze cyclopropyl-[(3S)-3-[(3S)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carbonyl]piperidin-1-yl]methanone with MolForge

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Related Compounds

2-bicyclo[2.2.1]heptanyl-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone
CID 71866032
(3-benzylpyrrolidin-1-yl)-cyclobutylmethanone
CID 110874334
(1-benzylcyclobutyl)-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone
CID 71854094
(2S)-1-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]-2-phenylpropan-1-one
CID 136580853
[(1R,2S)-2-(4-chlorophenyl)cyclopropyl]-[(3R)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone
CID 97075513
[2-(2-methylphenyl)cyclopropyl]-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone
CID 71866030
cyclobutyl-[(3S)-3-[[4-(hydroxymethyl)phenyl]methyl]pyrrolidin-1-yl]methanone
CID 97133116
[(1R,2R)-2-(4-methoxyphenyl)cyclopropyl]-[(3S)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone
CID 98799655
[(1S,2R)-2-(2-fluorophenyl)cyclopropyl]-[(3R)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone
CID 124735224
[(1S,2R)-2-(4-methoxyphenyl)cyclopropyl]-[(3R)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]methanone
CID 100860601
2-(2-chloro-4-hydroxyphenyl)-1-[3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]ethanone
CID 71914710
2-(2-chloro-4-hydroxyphenyl)-1-[(3R)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidin-1-yl]ethanone
CID 97075547

Frequently Asked Questions

What is the IUPAC name of cyclopropyl-[(3S)-3-[(3S)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carbonyl]piperidin-1-yl]methanone?
The IUPAC name of cyclopropyl-[(3S)-3-[(3S)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carbonyl]piperidin-1-yl]methanone (CID 97319161) is cyclopropyl-[(3S)-3-[(3S)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carbonyl]piperidin-1-yl]methanone.
What is the SMILES notation for cyclopropyl-[(3S)-3-[(3S)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carbonyl]piperidin-1-yl]methanone?
The canonical SMILES for cyclopropyl-[(3S)-3-[(3S)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carbonyl]piperidin-1-yl]methanone is Cn1cc(C[C@H]2CCN(C(=O)[C@H]3CCCN(C(=O)C4CC4)C3)C2)cn1.
What is the InChIKey of cyclopropyl-[(3S)-3-[(3S)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carbonyl]piperidin-1-yl]methanone?
The InChIKey is XCNUWYUCHWOGCX-PBHICJAKSA-N. The full InChI is InChI=1S/C19H28N4O2/c1-21-11-15(10-20-21)9-14-6-8-23(12-14)19(25)17-3-2-7-22(13-17)18(24)16-4-5-16/h10-11,14,16-17H,2-9,12-13H2,1H3/t14-,17+/m1/s1.
What are the key properties of cyclopropyl-[(3S)-3-[(3S)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carbonyl]piperidin-1-yl]methanone?
cyclopropyl-[(3S)-3-[(3S)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carbonyl]piperidin-1-yl]methanone has a molecular weight of 344.46 g/mol, XLogP of 1.46, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for cyclopropyl-[(3S)-3-[(3S)-3-[(1-methylpyrazol-4-yl)methyl]pyrrolidine-1-carbonyl]piperidin-1-yl]methanone is sourced from PubChem (CID 97319161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).