N-(1-cyclopropylpiperidin-4-yl)-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide

C18H29N5O — CID 95348862

IUPACN-(1-cyclopropylpiperidin-4-yl)-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
SMILESCn1cc([C@H]2CCCN2CC(=O)NC2CCN(C3CC3)CC2)cn1
InChIInChI=1S/C18H29N5O/c1-21-12-14(11-19-21)17-3-2-8-23(17)13-18(24)20-15-6-9-22(10-7-15)16-4-5-16/h11-12,15-17H,2-10,13H2,1H3,(H,20,24)/t17-/m1/s1
InChIKeyPHPQHJZXCDQIHW-QGZVFWFLSA-N
MW331.46 g/mol
LogP1.30
Rot. Bonds5

About N-(1-cyclopropylpiperidin-4-yl)-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide

N-(1-cyclopropylpiperidin-4-yl)-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide (PubChem CID 95348862) has the molecular formula C18H29N5O and a molecular weight of 331.46 g/mol. Its IUPAC name is N-(1-cyclopropylpiperidin-4-yl)-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(1-cyclopropylpiperidin-4-yl)-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
PubChem CID95348862
Molecular FormulaC18H29N5O
Molecular Weight331.46 g/mol
Exact Mass331.24
IUPAC NameN-(1-cyclopropylpiperidin-4-yl)-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
SMILESCn1cc([C@H]2CCCN2CC(=O)NC2CCN(C3CC3)CC2)cn1
InChIInChI=1S/C18H29N5O/c1-21-12-14(11-19-21)17-3-2-8-23(17)13-18(24)20-15-6-9-22(10-7-15)16-4-5-16/h11-12,15-17H,2-10,13H2,1H3,(H,20,24)/t17-/m1/s1
InChIKeyPHPQHJZXCDQIHW-QGZVFWFLSA-N
XLogP1.30
TPSA53.40 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 51.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(2-methylpropyl)-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
CID 95346557
N-(dicyclopropylmethyl)-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
CID 95318433
2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-N-(1,3,5-trimethylpyrazol-4-yl)acetamide
CID 95569857
2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-N-(5-methyl-1,3,4-thiadiazol-2-yl)acetamide
CID 95569810
N-[(1R)-1-cyano-1-cyclopropylethyl]-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
CID 100844062
1-methyl-4-[(2S)-1-(2-methylprop-2-enyl)pyrrolidin-2-yl]pyrazole
CID 95350128
1-methyl-4-[(2R)-1-(2-methylprop-2-enyl)pyrrolidin-2-yl]pyrazole
CID 95350127
N-[2-(4-fluorophenyl)ethyl]-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
CID 95570795
N-[(R)-cyclopropyl(phenyl)methyl]-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
CID 95569803
2-[2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]-1-morpholin-4-ylethanone
CID 56801201
N-(3-cyanothiophen-2-yl)-2-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide
CID 95569836
N-(5-methyl-1,2-oxazol-3-yl)-3-[(2S)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]propanamide
CID 95569827

Frequently Asked Questions

What is the IUPAC name of N-(1-cyclopropylpiperidin-4-yl)-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide?
The IUPAC name of N-(1-cyclopropylpiperidin-4-yl)-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide (CID 95348862) is N-(1-cyclopropylpiperidin-4-yl)-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide.
What is the SMILES notation for N-(1-cyclopropylpiperidin-4-yl)-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide?
The canonical SMILES for N-(1-cyclopropylpiperidin-4-yl)-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide is Cn1cc([C@H]2CCCN2CC(=O)NC2CCN(C3CC3)CC2)cn1.
What is the InChIKey of N-(1-cyclopropylpiperidin-4-yl)-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide?
The InChIKey is PHPQHJZXCDQIHW-QGZVFWFLSA-N. The full InChI is InChI=1S/C18H29N5O/c1-21-12-14(11-19-21)17-3-2-8-23(17)13-18(24)20-15-6-9-22(10-7-15)16-4-5-16/h11-12,15-17H,2-10,13H2,1H3,(H,20,24)/t17-/m1/s1.
What are the key properties of N-(1-cyclopropylpiperidin-4-yl)-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide?
N-(1-cyclopropylpiperidin-4-yl)-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide has a molecular weight of 331.46 g/mol, XLogP of 1.30, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-cyclopropylpiperidin-4-yl)-2-[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]acetamide is sourced from PubChem (CID 95348862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).