(3S,6S)-1-[(6-chloro-2-methyl-3-pyridinyl)methyl]-6-methylpiperidine-3-carboxamide

C14H20ClN3O — CID 97246020

IUPAC(3S,6S)-1-[(6-chloro-2-methyl-3-pyridinyl)methyl]-6-methylpiperidine-3-carboxamide
SMILESCc1nc(Cl)ccc1CN1C[C@@H](C(N)=O)CC[C@@H]1C
InChIInChI=1S/C14H20ClN3O/c1-9-3-4-12(14(16)19)8-18(9)7-11-5-6-13(15)17-10(11)2/h5-6,9,12H,3-4,7-8H2,1-2H3,(H2,16,19)/t9-,12-/m0/s1
InChIKeyCWSYPUFKIFMTST-CABZTGNLSA-N
MW281.79 g/mol
LogP2.13
Rot. Bonds3

About (3S,6S)-1-[(6-chloro-2-methyl-3-pyridinyl)methyl]-6-methylpiperidine-3-carboxamide

(3S,6S)-1-[(6-chloro-2-methyl-3-pyridinyl)methyl]-6-methylpiperidine-3-carboxamide (PubChem CID 97246020) has the molecular formula C14H20ClN3O and a molecular weight of 281.79 g/mol. Its IUPAC name is (3S,6S)-1-[(6-chloro-2-methyl-3-pyridinyl)methyl]-6-methylpiperidine-3-carboxamide.

Molecular Properties

Compound Name(3S,6S)-1-[(6-chloro-2-methyl-3-pyridinyl)methyl]-6-methylpiperidine-3-carboxamide
PubChem CID97246020
Molecular FormulaC14H20ClN3O
Molecular Weight281.79 g/mol
Exact Mass281.13
IUPAC Name(3S,6S)-1-[(6-chloro-2-methyl-3-pyridinyl)methyl]-6-methylpiperidine-3-carboxamide
SMILESCc1nc(Cl)ccc1CN1C[C@@H](C(N)=O)CC[C@@H]1C
InChIInChI=1S/C14H20ClN3O/c1-9-3-4-12(14(16)19)8-18(9)7-11-5-6-13(15)17-10(11)2/h5-6,9,12H,3-4,7-8H2,1-2H3,(H2,16,19)/t9-,12-/m0/s1
InChIKeyCWSYPUFKIFMTST-CABZTGNLSA-N
XLogP2.13
TPSA59.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.79
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

(3R,6R)-1-[(6-chloro-2-methyl-3-pyridinyl)methyl]-6-methylpiperidine-3-carboxamide
CID 98853607
1-[[2-(aminomethyl)-3-pyridinyl]methyl]-6-methylpiperidine-3-carboxamide
CID 62894836
3-[(5-carbamoyl-2-methylpiperidin-1-yl)methyl]furan-2-carboxylic acid
CID 54989275
4-[(5-carbamoyl-2-methylpiperidin-1-yl)methyl]-5-methylthiophene-2-carboxylic acid
CID 80728222
(3R,6S)-6-methyl-1-[(2-methyl-3-nitrophenyl)methyl]piperidine-3-carboxamide
CID 95302032
1-[(2-chlorophenyl)methyl]-6-methylpiperidine-3-carboxylic acid
CID 122084082
6-methyl-1-[[5-(methylamino)pyrazin-2-yl]methyl]piperidine-3-carboxamide
CID 103055846
1-[(3-bromophenyl)methyl]-6-methylpiperidine-3-carboxamide
CID 54989482
(3S,6R)-1-[(2-cyclopentyl-1,3-thiazol-4-yl)methyl]-6-methylpiperidine-3-carboxamide
CID 95343641
(3R,6S)-1-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-6-methylpiperidine-3-carboxamide
CID 95621691
(3S,6S)-1-[(5-benzyl-1,3,4-oxadiazol-2-yl)methyl]-6-methylpiperidine-3-carboxamide
CID 95621689
1-[(3-amino-4-bromophenyl)methyl]-6-methylpiperidine-3-carboxamide
CID 115557109

Frequently Asked Questions

What is the IUPAC name of (3S,6S)-1-[(6-chloro-2-methyl-3-pyridinyl)methyl]-6-methylpiperidine-3-carboxamide?
The IUPAC name of (3S,6S)-1-[(6-chloro-2-methyl-3-pyridinyl)methyl]-6-methylpiperidine-3-carboxamide (CID 97246020) is (3S,6S)-1-[(6-chloro-2-methyl-3-pyridinyl)methyl]-6-methylpiperidine-3-carboxamide.
What is the SMILES notation for (3S,6S)-1-[(6-chloro-2-methyl-3-pyridinyl)methyl]-6-methylpiperidine-3-carboxamide?
The canonical SMILES for (3S,6S)-1-[(6-chloro-2-methyl-3-pyridinyl)methyl]-6-methylpiperidine-3-carboxamide is Cc1nc(Cl)ccc1CN1C[C@@H](C(N)=O)CC[C@@H]1C.
What is the InChIKey of (3S,6S)-1-[(6-chloro-2-methyl-3-pyridinyl)methyl]-6-methylpiperidine-3-carboxamide?
The InChIKey is CWSYPUFKIFMTST-CABZTGNLSA-N. The full InChI is InChI=1S/C14H20ClN3O/c1-9-3-4-12(14(16)19)8-18(9)7-11-5-6-13(15)17-10(11)2/h5-6,9,12H,3-4,7-8H2,1-2H3,(H2,16,19)/t9-,12-/m0/s1.
What are the key properties of (3S,6S)-1-[(6-chloro-2-methyl-3-pyridinyl)methyl]-6-methylpiperidine-3-carboxamide?
(3S,6S)-1-[(6-chloro-2-methyl-3-pyridinyl)methyl]-6-methylpiperidine-3-carboxamide has a molecular weight of 281.79 g/mol, XLogP of 2.13, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,6S)-1-[(6-chloro-2-methyl-3-pyridinyl)methyl]-6-methylpiperidine-3-carboxamide is sourced from PubChem (CID 97246020), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).