(3S)-1-[(6-methoxy-3-pyridinyl)methylcarbamoyl]piperidine-3-carboxylic acid

C14H19N3O4 — CID 81119248

IUPAC(3S)-1-[(6-methoxy-3-pyridinyl)methylcarbamoyl]piperidine-3-carboxylic acid
SMILESCOc1ccc(CNC(=O)N2CCC[C@H](C(=O)O)C2)cn1
InChIInChI=1S/C14H19N3O4/c1-21-12-5-4-10(7-15-12)8-16-14(20)17-6-2-3-11(9-17)13(18)19/h4-5,7,11H,2-3,6,8-9H2,1H3,(H,16,20)(H,18,19)/t11-/m0/s1
InChIKeyRIXCVRGUKRCXKX-NSHDSACASA-N
MW293.32 g/mol
LogP1.10
Rot. Bonds4

About (3S)-1-[(6-methoxy-3-pyridinyl)methylcarbamoyl]piperidine-3-carboxylic acid

(3S)-1-[(6-methoxy-3-pyridinyl)methylcarbamoyl]piperidine-3-carboxylic acid (PubChem CID 81119248) has the molecular formula C14H19N3O4 and a molecular weight of 293.32 g/mol. Its IUPAC name is (3S)-1-[(6-methoxy-3-pyridinyl)methylcarbamoyl]piperidine-3-carboxylic acid.

Molecular Properties

Compound Name(3S)-1-[(6-methoxy-3-pyridinyl)methylcarbamoyl]piperidine-3-carboxylic acid
PubChem CID81119248
Molecular FormulaC14H19N3O4
Molecular Weight293.32 g/mol
Exact Mass293.14
IUPAC Name(3S)-1-[(6-methoxy-3-pyridinyl)methylcarbamoyl]piperidine-3-carboxylic acid
SMILESCOc1ccc(CNC(=O)N2CCC[C@H](C(=O)O)C2)cn1
InChIInChI=1S/C14H19N3O4/c1-21-12-5-4-10(7-15-12)8-16-14(20)17-6-2-3-11(9-17)13(18)19/h4-5,7,11H,2-3,6,8-9H2,1H3,(H,16,20)(H,18,19)/t11-/m0/s1
InChIKeyRIXCVRGUKRCXKX-NSHDSACASA-N
XLogP1.10
TPSA91.76 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.32
LogP ≤ 51.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(6-methoxy-3-pyridinyl)methylcarbamoyl]piperidine-4-carboxylic acid
CID 62992812
1-(4-fluorobenzoyl)-N-[(6-methoxy-3-pyridinyl)methyl]piperidine-3-carboxamide
CID 51306191
1-[2-[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]ethylcarbamoyl]piperidine-3-carboxylic acid
CID 122010646
1-[(3-methoxyphenyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 61029424
N-[(6-methoxy-3-pyridinyl)methyl]-2-pyridin-4-ylazepane-1-carboxamide
CID 87003003
N-[[6-(2-methoxyethoxy)-3-pyridinyl]methyl]-3-phenylpyrrolidine-1-carboxamide
CID 51128774
1-[(4-prop-2-enoxyphenyl)methylcarbamoyl]piperidine-3-carboxylic acid
CID 122013875
1-[(5-chloro-6-methoxy-3-pyridinyl)methylcarbamoyl]pyrrolidine-3-carboxylic acid
CID 122016251
5-[[(3-methoxypiperidine-1-carbonyl)amino]methyl]pyridine-2-carboxylic acid
CID 102962931
(3R)-N-[(6-propoxy-3-pyridinyl)methyl]-3-(trifluoromethyl)piperidine-1-carboxamide
CID 95760901
1-[[4-(1,1-difluoroethyl)phenyl]methylcarbamoyl]piperidine-3-carboxylic acid
CID 122015342
2-[(6-methoxy-3-pyridinyl)methylcarbamoyl]cyclohexane-1-carboxylic acid
CID 60940395

Frequently Asked Questions

What is the IUPAC name of (3S)-1-[(6-methoxy-3-pyridinyl)methylcarbamoyl]piperidine-3-carboxylic acid?
The IUPAC name of (3S)-1-[(6-methoxy-3-pyridinyl)methylcarbamoyl]piperidine-3-carboxylic acid (CID 81119248) is (3S)-1-[(6-methoxy-3-pyridinyl)methylcarbamoyl]piperidine-3-carboxylic acid.
What is the SMILES notation for (3S)-1-[(6-methoxy-3-pyridinyl)methylcarbamoyl]piperidine-3-carboxylic acid?
The canonical SMILES for (3S)-1-[(6-methoxy-3-pyridinyl)methylcarbamoyl]piperidine-3-carboxylic acid is COc1ccc(CNC(=O)N2CCC[C@H](C(=O)O)C2)cn1.
What is the InChIKey of (3S)-1-[(6-methoxy-3-pyridinyl)methylcarbamoyl]piperidine-3-carboxylic acid?
The InChIKey is RIXCVRGUKRCXKX-NSHDSACASA-N. The full InChI is InChI=1S/C14H19N3O4/c1-21-12-5-4-10(7-15-12)8-16-14(20)17-6-2-3-11(9-17)13(18)19/h4-5,7,11H,2-3,6,8-9H2,1H3,(H,16,20)(H,18,19)/t11-/m0/s1.
What are the key properties of (3S)-1-[(6-methoxy-3-pyridinyl)methylcarbamoyl]piperidine-3-carboxylic acid?
(3S)-1-[(6-methoxy-3-pyridinyl)methylcarbamoyl]piperidine-3-carboxylic acid has a molecular weight of 293.32 g/mol, XLogP of 1.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-[(6-methoxy-3-pyridinyl)methylcarbamoyl]piperidine-3-carboxylic acid is sourced from PubChem (CID 81119248), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).