(3S)-1-(4-methoxybenzoyl)piperidine-3-carboximidamide

C14H19N3O2 — CID 99975753

IUPAC(3S)-1-(4-methoxybenzoyl)piperidine-3-carboximidamide
SMILES[H]/N=C(\N)[C@H]1CCCN(C(=O)c2ccc(OC)cc2)C1
InChIInChI=1S/C14H19N3O2/c1-19-12-6-4-10(5-7-12)14(18)17-8-2-3-11(9-17)13(15)16/h4-7,11H,2-3,8-9H2,1H3,(H3,15,16)/t11-/m0/s1
InChIKeyWBBVYPRZLKAZAK-NSHDSACASA-N
MW261.32 g/mol
LogP1.48
Rot. Bonds3

About (3S)-1-(4-methoxybenzoyl)piperidine-3-carboximidamide

(3S)-1-(4-methoxybenzoyl)piperidine-3-carboximidamide (PubChem CID 99975753) has the molecular formula C14H19N3O2 and a molecular weight of 261.32 g/mol. Its IUPAC name is (3S)-1-(4-methoxybenzoyl)piperidine-3-carboximidamide.

Molecular Properties

Compound Name(3S)-1-(4-methoxybenzoyl)piperidine-3-carboximidamide
PubChem CID99975753
Molecular FormulaC14H19N3O2
Molecular Weight261.32 g/mol
Exact Mass261.15
IUPAC Name(3S)-1-(4-methoxybenzoyl)piperidine-3-carboximidamide
SMILES[H]/N=C(\N)[C@H]1CCCN(C(=O)c2ccc(OC)cc2)C1
InChIInChI=1S/C14H19N3O2/c1-19-12-6-4-10(5-7-12)14(18)17-8-2-3-11(9-17)13(15)16/h4-7,11H,2-3,8-9H2,1H3,(H3,15,16)/t11-/m0/s1
InChIKeyWBBVYPRZLKAZAK-NSHDSACASA-N
XLogP1.48
TPSA79.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.32
LogP ≤ 51.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

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Related Compounds

(4-methoxyphenyl)-pyrrolidin-1-yl(111C)methanone
CID 10976580
(4-methoxyphenyl)-[3-(6,7,8,9-tetrahydro-5H-[1,2,4]triazolo[4,3-a]azepin-3-yl)piperidin-1-yl]methanone
CID 74614299
N-(4-methoxyphenyl)-1-(4-methylbenzoyl)piperidine-3-carboxamide
CID 55623806
(4-methoxyphenyl)-[4-(piperidine-1-carbonyl)piperazin-1-yl]methanone
CID 18152974
methyl 1-[4-(2-amino-2-oxoethoxy)benzoyl]piperidine-3-carboxylate
CID 119109496
1-(4-phenoxybenzoyl)piperidine-3-carboxamide
CID 18159127
methyl 3-(4-methoxybenzoyl)piperidine-1-carboxylate
CID 110394724
cyclopentyl-[3-(4-methoxybenzoyl)piperidin-1-yl]methanone
CID 110394678
[3-(4-methoxyphenyl)azepan-1-yl]-(4-methylphenyl)methanone
CID 121146944
(4-methoxyphenyl)-[3-(methylaminomethyl)piperidin-1-yl]methanone
CID 61205449
(4-bromophenyl)-[(3R)-3-(4-methoxyphenyl)azepan-1-yl]methanone
CID 99883377
[1-(2-methoxybenzoyl)piperidin-3-yl]-(4-methoxyphenyl)methanone
CID 110394690

Frequently Asked Questions

What is the IUPAC name of (3S)-1-(4-methoxybenzoyl)piperidine-3-carboximidamide?
The IUPAC name of (3S)-1-(4-methoxybenzoyl)piperidine-3-carboximidamide (CID 99975753) is (3S)-1-(4-methoxybenzoyl)piperidine-3-carboximidamide.
What is the SMILES notation for (3S)-1-(4-methoxybenzoyl)piperidine-3-carboximidamide?
The canonical SMILES for (3S)-1-(4-methoxybenzoyl)piperidine-3-carboximidamide is [H]/N=C(\N)[C@H]1CCCN(C(=O)c2ccc(OC)cc2)C1.
What is the InChIKey of (3S)-1-(4-methoxybenzoyl)piperidine-3-carboximidamide?
The InChIKey is WBBVYPRZLKAZAK-NSHDSACASA-N. The full InChI is InChI=1S/C14H19N3O2/c1-19-12-6-4-10(5-7-12)14(18)17-8-2-3-11(9-17)13(15)16/h4-7,11H,2-3,8-9H2,1H3,(H3,15,16)/t11-/m0/s1.
What are the key properties of (3S)-1-(4-methoxybenzoyl)piperidine-3-carboximidamide?
(3S)-1-(4-methoxybenzoyl)piperidine-3-carboximidamide has a molecular weight of 261.32 g/mol, XLogP of 1.48, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-1-(4-methoxybenzoyl)piperidine-3-carboximidamide is sourced from PubChem (CID 99975753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).