(2R)-2-amino-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]propanamide;hydrochloride

C14H23ClN4O — CID 120872926

IUPAC(2R)-2-amino-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]propanamide;hydrochloride
SMILESC[C@@H](N)C(=O)NC1CCN(Cc2cccnc2)CC1.Cl
InChIInChI=1S/C14H22N4O.ClH/c1-11(15)14(19)17-13-4-7-18(8-5-13)10-12-3-2-6-16-9-12;/h2-3,6,9,11,13H,4-5,7-8,10,15H2,1H3,(H,17,19);1H/t11-;/m1./s1
InChIKeyFOUONOQZGPYETC-RFVHGSKJSA-N
MW298.82 g/mol
LogP0.93
Rot. Bonds4

About (2R)-2-amino-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]propanamide;hydrochloride

(2R)-2-amino-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]propanamide;hydrochloride (PubChem CID 120872926) has the molecular formula C14H23ClN4O and a molecular weight of 298.82 g/mol. Its IUPAC name is (2R)-2-amino-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]propanamide;hydrochloride.

Molecular Properties

Compound Name(2R)-2-amino-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]propanamide;hydrochloride
PubChem CID120872926
Molecular FormulaC14H23ClN4O
Molecular Weight298.82 g/mol
Exact Mass298.16
IUPAC Name(2R)-2-amino-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]propanamide;hydrochloride
SMILESC[C@@H](N)C(=O)NC1CCN(Cc2cccnc2)CC1.Cl
InChIInChI=1S/C14H22N4O.ClH/c1-11(15)14(19)17-13-4-7-18(8-5-13)10-12-3-2-6-16-9-12;/h2-3,6,9,11,13H,4-5,7-8,10,15H2,1H3,(H,17,19);1H/t11-;/m1./s1
InChIKeyFOUONOQZGPYETC-RFVHGSKJSA-N
XLogP0.93
TPSA71.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.82
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(2S)-2-amino-N-(1-benzylpiperidin-4-yl)propanamide
CID 770488
(2R)-2-amino-N-[1-[(4-chlorophenyl)methyl]piperidin-4-yl]propanamide
CID 119835947
(2R)-2-amino-N-[1-[(3,4-dichlorophenyl)methyl]piperidin-4-yl]propanamide;dihydrochloride
CID 119883495
2-pyridin-3-yl-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]acetamide
CID 91774888
(2S)-2-amino-N-(1-benzylpyrrolidin-3-yl)propanamide
CID 66565242
N',N'-diethyl-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]butanediamide
CID 154795042
9-amino-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]bicyclo[3.3.1]nonane-3-carboxamide
CID 120989928
N-(1-methoxypropan-2-yl)-1-(pyridin-3-ylmethyl)piperidine-4-carboxamide
CID 4614545
3-amino-N-[1-(pyridin-4-ylmethyl)piperidin-4-yl]butanamide;dihydrochloride
CID 119848202
N-(1-benzylpiperidin-4-yl)-2-methyl-2-pyridin-3-ylpropanamide
CID 136519757
2-methyl-N-[8-(pyridin-3-ylmethyl)-1-oxa-8-azaspiro[4.5]decan-3-yl]propanamide
CID 118745549
N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]quinoline-3-carboxamide
CID 171061363

Frequently Asked Questions

What is the IUPAC name of (2R)-2-amino-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]propanamide;hydrochloride?
The IUPAC name of (2R)-2-amino-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]propanamide;hydrochloride (CID 120872926) is (2R)-2-amino-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]propanamide;hydrochloride.
What is the SMILES notation for (2R)-2-amino-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]propanamide;hydrochloride?
The canonical SMILES for (2R)-2-amino-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]propanamide;hydrochloride is C[C@@H](N)C(=O)NC1CCN(Cc2cccnc2)CC1.Cl.
What is the InChIKey of (2R)-2-amino-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]propanamide;hydrochloride?
The InChIKey is FOUONOQZGPYETC-RFVHGSKJSA-N. The full InChI is InChI=1S/C14H22N4O.ClH/c1-11(15)14(19)17-13-4-7-18(8-5-13)10-12-3-2-6-16-9-12;/h2-3,6,9,11,13H,4-5,7-8,10,15H2,1H3,(H,17,19);1H/t11-;/m1./s1.
What are the key properties of (2R)-2-amino-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]propanamide;hydrochloride?
(2R)-2-amino-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]propanamide;hydrochloride has a molecular weight of 298.82 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-amino-N-[1-(pyridin-3-ylmethyl)piperidin-4-yl]propanamide;hydrochloride is sourced from PubChem (CID 120872926), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).