(3S)-N-[1-(4-methoxyphenyl)piperidin-4-yl]-3-methylpiperidine-1-carboxamide

C19H29N3O2 — CID 95326859

IUPAC(3S)-N-[1-(4-methoxyphenyl)piperidin-4-yl]-3-methylpiperidine-1-carboxamide
SMILESCOc1ccc(N2CCC(NC(=O)N3CCC[C@H](C)C3)CC2)cc1
InChIInChI=1S/C19H29N3O2/c1-15-4-3-11-22(14-15)19(23)20-16-9-12-21(13-10-16)17-5-7-18(24-2)8-6-17/h5-8,15-16H,3-4,9-14H2,1-2H3,(H,20,23)/t15-/m0/s1
InChIKeyVCICBGRAZZBLFT-HNNXBMFYSA-N
MW331.46 g/mol
LogP3.11
Rot. Bonds3

About (3S)-N-[1-(4-methoxyphenyl)piperidin-4-yl]-3-methylpiperidine-1-carboxamide

(3S)-N-[1-(4-methoxyphenyl)piperidin-4-yl]-3-methylpiperidine-1-carboxamide (PubChem CID 95326859) has the molecular formula C19H29N3O2 and a molecular weight of 331.46 g/mol. Its IUPAC name is (3S)-N-[1-(4-methoxyphenyl)piperidin-4-yl]-3-methylpiperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-N-[1-(4-methoxyphenyl)piperidin-4-yl]-3-methylpiperidine-1-carboxamide
PubChem CID95326859
Molecular FormulaC19H29N3O2
Molecular Weight331.46 g/mol
Exact Mass331.23
IUPAC Name(3S)-N-[1-(4-methoxyphenyl)piperidin-4-yl]-3-methylpiperidine-1-carboxamide
SMILESCOc1ccc(N2CCC(NC(=O)N3CCC[C@H](C)C3)CC2)cc1
InChIInChI=1S/C19H29N3O2/c1-15-4-3-11-22(14-15)19(23)20-16-9-12-21(13-10-16)17-5-7-18(24-2)8-6-17/h5-8,15-16H,3-4,9-14H2,1-2H3,(H,20,23)/t15-/m0/s1
InChIKeyVCICBGRAZZBLFT-HNNXBMFYSA-N
XLogP3.11
TPSA44.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.46
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

(3S)-3-(hydroxymethyl)-N-[1-(4-methoxyphenyl)piperidin-4-yl]piperidine-1-carboxamide
CID 95597540
(3R)-N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]-3-methylpiperidine-1-carboxamide
CID 7544881
[4-[4-(4-methoxyphenyl)piperazin-1-yl]-2-pyridinyl]-(3-methylpiperidin-1-yl)methanone
CID 109218095
N-[1-[4-(dimethylamino)phenyl]piperidin-4-yl]-3-hydroxypiperidine-1-carboxamide
CID 111508241
N-(4-hydroxycyclohexyl)-3-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 110913057
N-[1-(4-methoxyphenyl)cyclopropyl]-3-methylpiperidine-1-carboxamide
CID 113215638
4-(4-methoxyphenyl)-N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide
CID 7163162
N'-(4-methoxyphenyl)-N-[4-(4-methylpiperidin-1-yl)phenyl]oxamide
CID 108987256
N-[1-(4-methoxyphenyl)pyrrolidin-3-yl]prop-2-enamide
CID 139018722
N-(cyclopentylcarbamoyl)-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 18093958
(2S)-N-cyclopentyl-2-[4-(4-methoxyphenyl)piperazin-1-yl]propanamide
CID 2576020
1-(4-methoxyphenyl)-5-(3-methylpiperidine-1-carbonyl)pyrrolidin-2-one
CID 110374168

Frequently Asked Questions

What is the IUPAC name of (3S)-N-[1-(4-methoxyphenyl)piperidin-4-yl]-3-methylpiperidine-1-carboxamide?
The IUPAC name of (3S)-N-[1-(4-methoxyphenyl)piperidin-4-yl]-3-methylpiperidine-1-carboxamide (CID 95326859) is (3S)-N-[1-(4-methoxyphenyl)piperidin-4-yl]-3-methylpiperidine-1-carboxamide.
What is the SMILES notation for (3S)-N-[1-(4-methoxyphenyl)piperidin-4-yl]-3-methylpiperidine-1-carboxamide?
The canonical SMILES for (3S)-N-[1-(4-methoxyphenyl)piperidin-4-yl]-3-methylpiperidine-1-carboxamide is COc1ccc(N2CCC(NC(=O)N3CCC[C@H](C)C3)CC2)cc1.
What is the InChIKey of (3S)-N-[1-(4-methoxyphenyl)piperidin-4-yl]-3-methylpiperidine-1-carboxamide?
The InChIKey is VCICBGRAZZBLFT-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H29N3O2/c1-15-4-3-11-22(14-15)19(23)20-16-9-12-21(13-10-16)17-5-7-18(24-2)8-6-17/h5-8,15-16H,3-4,9-14H2,1-2H3,(H,20,23)/t15-/m0/s1.
What are the key properties of (3S)-N-[1-(4-methoxyphenyl)piperidin-4-yl]-3-methylpiperidine-1-carboxamide?
(3S)-N-[1-(4-methoxyphenyl)piperidin-4-yl]-3-methylpiperidine-1-carboxamide has a molecular weight of 331.46 g/mol, XLogP of 3.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-[1-(4-methoxyphenyl)piperidin-4-yl]-3-methylpiperidine-1-carboxamide is sourced from PubChem (CID 95326859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).