(2S)-N-[[(3R)-1-[(2S)-2-cyclopropylpropanoyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide

C17H29N3O2 — CID 124692085

IUPAC(2S)-N-[[(3R)-1-[(2S)-2-cyclopropylpropanoyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
SMILESC[C@H](C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCCN2)C1)C1CC1
InChIInChI=1S/C17H29N3O2/c1-12(14-6-7-14)17(22)20-9-3-4-13(11-20)10-19-16(21)15-5-2-8-18-15/h12-15,18H,2-11H2,1H3,(H,19,21)/t12-,13+,15-/m0/s1
InChIKeyKJXHXJJMQPWOBI-GUTXKFCHSA-N
MW307.44 g/mol
LogP1.14
Rot. Bonds5

About (2S)-N-[[(3R)-1-[(2S)-2-cyclopropylpropanoyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide

(2S)-N-[[(3R)-1-[(2S)-2-cyclopropylpropanoyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide (PubChem CID 124692085) has the molecular formula C17H29N3O2 and a molecular weight of 307.44 g/mol. Its IUPAC name is (2S)-N-[[(3R)-1-[(2S)-2-cyclopropylpropanoyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name(2S)-N-[[(3R)-1-[(2S)-2-cyclopropylpropanoyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
PubChem CID124692085
Molecular FormulaC17H29N3O2
Molecular Weight307.44 g/mol
Exact Mass307.23
IUPAC Name(2S)-N-[[(3R)-1-[(2S)-2-cyclopropylpropanoyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
SMILESC[C@H](C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCCN2)C1)C1CC1
InChIInChI=1S/C17H29N3O2/c1-12(14-6-7-14)17(22)20-9-3-4-13(11-20)10-19-16(21)15-5-2-8-18-15/h12-15,18H,2-11H2,1H3,(H,19,21)/t12-,13+,15-/m0/s1
InChIKeyKJXHXJJMQPWOBI-GUTXKFCHSA-N
XLogP1.14
TPSA61.44 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.44
LogP ≤ 51.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze (2S)-N-[[(3R)-1-[(2S)-2-cyclopropylpropanoyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide with MolForge

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Related Compounds

N-[[1-(3-methylbut-2-enoyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 115556934
(2R)-N-[[(3R)-1-butanoylpiperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 124574195
(2S)-N-[[(3S)-1-(cyclopentanecarbonyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 124700133
N-[[1-(2-methylpropyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 115556890
N-[[1-(4,4-dimethylpent-2-enoyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 126817372
(2R)-N-[[(3R)-1-(2-cyclopentylidenepropanoyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 100649268
(2S)-N-[[(3S)-1-[(1S,2R,4R,5S)-tricyclo[3.2.1.02,4]octane-3-carbonyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 124864363
(2S)-N-[[(3R)-1-(4-fluorobenzoyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 100649814
(2S)-N-[[(3R)-1-(2,5-dimethylfuran-3-carbonyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 124698807
(2R)-N-[(1-propan-2-ylpyrrolidin-3-yl)methyl]piperidine-2-carboxamide
CID 103814104
(2R)-N-[[(3R)-1-(2,3-dimethylbenzoyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 100649892
N-(2-cyclopropylpropyl)pyrrolidine-2-carboxamide
CID 115591240

Frequently Asked Questions

What is the IUPAC name of (2S)-N-[[(3R)-1-[(2S)-2-cyclopropylpropanoyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide?
The IUPAC name of (2S)-N-[[(3R)-1-[(2S)-2-cyclopropylpropanoyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide (CID 124692085) is (2S)-N-[[(3R)-1-[(2S)-2-cyclopropylpropanoyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for (2S)-N-[[(3R)-1-[(2S)-2-cyclopropylpropanoyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide?
The canonical SMILES for (2S)-N-[[(3R)-1-[(2S)-2-cyclopropylpropanoyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide is C[C@H](C(=O)N1CCC[C@H](CNC(=O)[C@@H]2CCCN2)C1)C1CC1.
What is the InChIKey of (2S)-N-[[(3R)-1-[(2S)-2-cyclopropylpropanoyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide?
The InChIKey is KJXHXJJMQPWOBI-GUTXKFCHSA-N. The full InChI is InChI=1S/C17H29N3O2/c1-12(14-6-7-14)17(22)20-9-3-4-13(11-20)10-19-16(21)15-5-2-8-18-15/h12-15,18H,2-11H2,1H3,(H,19,21)/t12-,13+,15-/m0/s1.
What are the key properties of (2S)-N-[[(3R)-1-[(2S)-2-cyclopropylpropanoyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide?
(2S)-N-[[(3R)-1-[(2S)-2-cyclopropylpropanoyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide has a molecular weight of 307.44 g/mol, XLogP of 1.14, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-[[(3R)-1-[(2S)-2-cyclopropylpropanoyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 124692085), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).