2-[[(3S)-piperidin-3-yl]amino]-1-pyridin-2-ylethanone;hydrochloride

C12H18ClN3O — CID 71644996

IUPAC2-[[(3S)-piperidin-3-yl]amino]-1-pyridin-2-ylethanone;hydrochloride
SMILESCl.O=C(CN[C@H]1CCCNC1)c1ccccn1
InChIInChI=1S/C12H17N3O.ClH/c16-12(11-5-1-2-7-14-11)9-15-10-4-3-6-13-8-10;/h1-2,5,7,10,13,15H,3-4,6,8-9H2;1H/t10-;/m0./s1
InChIKeySPFDHRCCYFAWBX-PPHPATTJSA-N
MW255.75 g/mol
LogP1.03
Rot. Bonds4

About 2-[[(3S)-piperidin-3-yl]amino]-1-pyridin-2-ylethanone;hydrochloride

2-[[(3S)-piperidin-3-yl]amino]-1-pyridin-2-ylethanone;hydrochloride (PubChem CID 71644996) has the molecular formula C12H18ClN3O and a molecular weight of 255.75 g/mol. Its IUPAC name is 2-[[(3S)-piperidin-3-yl]amino]-1-pyridin-2-ylethanone;hydrochloride.

Molecular Properties

Compound Name2-[[(3S)-piperidin-3-yl]amino]-1-pyridin-2-ylethanone;hydrochloride
PubChem CID71644996
Molecular FormulaC12H18ClN3O
Molecular Weight255.75 g/mol
Exact Mass255.11
IUPAC Name2-[[(3S)-piperidin-3-yl]amino]-1-pyridin-2-ylethanone;hydrochloride
SMILESCl.O=C(CN[C@H]1CCCNC1)c1ccccn1
InChIInChI=1S/C12H17N3O.ClH/c16-12(11-5-1-2-7-14-11)9-15-10-4-3-6-13-8-10;/h1-2,5,7,10,13,15H,3-4,6,8-9H2;1H/t10-;/m0./s1
InChIKeySPFDHRCCYFAWBX-PPHPATTJSA-N
XLogP1.03
TPSA54.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.75
LogP ≤ 51.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[(3R)-piperidin-3-yl]amino]-1-(1,3-thiazol-2-yl)ethanone;hydrochloride
CID 71644976
2-(piperidin-3-ylamino)-1-(1,3-thiazol-2-yl)ethanone;hydrochloride
CID 71645037
2-[methyl-[(3R)-piperidin-3-yl]amino]-1-pyridin-2-ylethanone;hydrochloride
CID 71641585
N-(pyridin-2-ylmethyl)piperidin-3-amine;trihydrochloride
CID 75994063
1-pyridin-2-yl-2-[[(3R)-pyrrolidin-3-yl]methylamino]ethanone
CID 97165705
2-[[(3S)-piperidin-3-yl]methoxy]-1-pyridin-2-ylethanone
CID 97165742
2-[(3S)-piperidin-3-yl]oxy-1-pyridin-2-ylethanone
CID 71645154
N-piperidin-3-ylpyridin-2-amine
CID 63321128
2-(3-piperidin-3-ylpropoxy)-1-pyridin-2-ylethanone;hydrochloride
CID 71645321
2-(pyrrolidin-3-ylamino)-1-(1,3-thiazol-2-yl)ethanone;hydrochloride
CID 71645049
2-[[(3S)-pyrrolidin-3-yl]amino]-1-(1,3-thiazol-2-yl)ethanone
CID 71645013
(3R)-N-(pyridin-4-ylmethyl)piperidin-3-amine;trihydrochloride
CID 53256507

Frequently Asked Questions

What is the IUPAC name of 2-[[(3S)-piperidin-3-yl]amino]-1-pyridin-2-ylethanone;hydrochloride?
The IUPAC name of 2-[[(3S)-piperidin-3-yl]amino]-1-pyridin-2-ylethanone;hydrochloride (CID 71644996) is 2-[[(3S)-piperidin-3-yl]amino]-1-pyridin-2-ylethanone;hydrochloride.
What is the SMILES notation for 2-[[(3S)-piperidin-3-yl]amino]-1-pyridin-2-ylethanone;hydrochloride?
The canonical SMILES for 2-[[(3S)-piperidin-3-yl]amino]-1-pyridin-2-ylethanone;hydrochloride is Cl.O=C(CN[C@H]1CCCNC1)c1ccccn1.
What is the InChIKey of 2-[[(3S)-piperidin-3-yl]amino]-1-pyridin-2-ylethanone;hydrochloride?
The InChIKey is SPFDHRCCYFAWBX-PPHPATTJSA-N. The full InChI is InChI=1S/C12H17N3O.ClH/c16-12(11-5-1-2-7-14-11)9-15-10-4-3-6-13-8-10;/h1-2,5,7,10,13,15H,3-4,6,8-9H2;1H/t10-;/m0./s1.
What are the key properties of 2-[[(3S)-piperidin-3-yl]amino]-1-pyridin-2-ylethanone;hydrochloride?
2-[[(3S)-piperidin-3-yl]amino]-1-pyridin-2-ylethanone;hydrochloride has a molecular weight of 255.75 g/mol, XLogP of 1.03, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S)-piperidin-3-yl]amino]-1-pyridin-2-ylethanone;hydrochloride is sourced from PubChem (CID 71644996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).