N-[[1-[(2-methylcyclopropyl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride

C16H30ClN3O — CID 120843147

IUPACN-[[1-[(2-methylcyclopropyl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCC1CC1CN1CCCC(CNC(=O)C2CCCN2)C1.Cl
InChIInChI=1S/C16H29N3O.ClH/c1-12-8-14(12)11-19-7-3-4-13(10-19)9-18-16(20)15-5-2-6-17-15;/h12-15,17H,2-11H2,1H3,(H,18,20);1H
InChIKeyQQTVYUCTBCMSCH-UHFFFAOYSA-N
MW315.89 g/mol
LogP1.64
Rot. Bonds5

About N-[[1-[(2-methylcyclopropyl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride

N-[[1-[(2-methylcyclopropyl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride (PubChem CID 120843147) has the molecular formula C16H30ClN3O and a molecular weight of 315.89 g/mol. Its IUPAC name is N-[[1-[(2-methylcyclopropyl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[[1-[(2-methylcyclopropyl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
PubChem CID120843147
Molecular FormulaC16H30ClN3O
Molecular Weight315.89 g/mol
Exact Mass315.21
IUPAC NameN-[[1-[(2-methylcyclopropyl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
SMILESCC1CC1CN1CCCC(CNC(=O)C2CCCN2)C1.Cl
InChIInChI=1S/C16H29N3O.ClH/c1-12-8-14(12)11-19-7-3-4-13(10-19)9-18-16(20)15-5-2-6-17-15;/h12-15,17H,2-11H2,1H3,(H,18,20);1H
InChIKeyQQTVYUCTBCMSCH-UHFFFAOYSA-N
XLogP1.64
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.89
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[[1-(2-methylpropyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 115556890
N-[[1-(oxolan-3-ylmethyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 115556911
(2R)-N-[(2-methylcyclopropyl)methyl]pyrrolidine-2-carboxamide
CID 103795243
N-[[1-(4-methylsulfanylbutyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 103089534
(2S)-N-[(1-ethylpyrrolidin-3-yl)methyl]piperidine-2-carboxamide
CID 113267408
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
N-[[1-[(4-bromo-1,3-dimethylpyrazol-5-yl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 120843187
(2S)-N-[[(3S)-1-(cyclopentanecarbonyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide
CID 124700133
(2R)-N-[(1-ethylpiperidin-4-yl)methyl]pyrrolidine-2-carboxamide
CID 103814111
N-[[1-(4,4-dimethylpent-2-enoyl)piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride
CID 126817372
(2S)-N-[(3-methylcyclopentyl)methyl]pyrrolidine-2-carboxamide
CID 107413261

Frequently Asked Questions

What is the IUPAC name of N-[[1-[(2-methylcyclopropyl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
The IUPAC name of N-[[1-[(2-methylcyclopropyl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride (CID 120843147) is N-[[1-[(2-methylcyclopropyl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride.
What is the SMILES notation for N-[[1-[(2-methylcyclopropyl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
The canonical SMILES for N-[[1-[(2-methylcyclopropyl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride is CC1CC1CN1CCCC(CNC(=O)C2CCCN2)C1.Cl.
What is the InChIKey of N-[[1-[(2-methylcyclopropyl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
The InChIKey is QQTVYUCTBCMSCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H29N3O.ClH/c1-12-8-14(12)11-19-7-3-4-13(10-19)9-18-16(20)15-5-2-6-17-15;/h12-15,17H,2-11H2,1H3,(H,18,20);1H.
What are the key properties of N-[[1-[(2-methylcyclopropyl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride?
N-[[1-[(2-methylcyclopropyl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride has a molecular weight of 315.89 g/mol, XLogP of 1.64, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[(2-methylcyclopropyl)methyl]piperidin-3-yl]methyl]pyrrolidine-2-carboxamide;hydrochloride is sourced from PubChem (CID 120843147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).