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

C19H29N3O3 — CID 95597540

IUPAC(3S)-3-(hydroxymethyl)-N-[1-(4-methoxyphenyl)piperidin-4-yl]piperidine-1-carboxamide
SMILESCOc1ccc(N2CCC(NC(=O)N3CCC[C@H](CO)C3)CC2)cc1
InChIInChI=1S/C19H29N3O3/c1-25-18-6-4-17(5-7-18)21-11-8-16(9-12-21)20-19(24)22-10-2-3-15(13-22)14-23/h4-7,15-16,23H,2-3,8-14H2,1H3,(H,20,24)/t15-/m0/s1
InChIKeyKDASVBWDGNSGQU-HNNXBMFYSA-N
MW347.46 g/mol
LogP2.08
Rot. Bonds4

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

(3S)-3-(hydroxymethyl)-N-[1-(4-methoxyphenyl)piperidin-4-yl]piperidine-1-carboxamide (PubChem CID 95597540) has the molecular formula C19H29N3O3 and a molecular weight of 347.46 g/mol. Its IUPAC name is (3S)-3-(hydroxymethyl)-N-[1-(4-methoxyphenyl)piperidin-4-yl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-(hydroxymethyl)-N-[1-(4-methoxyphenyl)piperidin-4-yl]piperidine-1-carboxamide
PubChem CID95597540
Molecular FormulaC19H29N3O3
Molecular Weight347.46 g/mol
Exact Mass347.22
IUPAC Name(3S)-3-(hydroxymethyl)-N-[1-(4-methoxyphenyl)piperidin-4-yl]piperidine-1-carboxamide
SMILESCOc1ccc(N2CCC(NC(=O)N3CCC[C@H](CO)C3)CC2)cc1
InChIInChI=1S/C19H29N3O3/c1-25-18-6-4-17(5-7-18)21-11-8-16(9-12-21)20-19(24)22-10-2-3-15(13-22)14-23/h4-7,15-16,23H,2-3,8-14H2,1H3,(H,20,24)/t15-/m0/s1
InChIKeyKDASVBWDGNSGQU-HNNXBMFYSA-N
XLogP2.08
TPSA65.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.46
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(3S)-N-[1-(4-methoxyphenyl)piperidin-4-yl]-3-methylpiperidine-1-carboxamide
CID 95326859
(3R)-N-cyclooctyl-3-(hydroxymethyl)piperidine-1-carboxamide
CID 95577956
1-[3-(hydroxymethyl)piperidin-1-yl]-2-(4-methoxyphenyl)ethanone
CID 3298248
3-(hydroxymethyl)-N-[1-(4-methoxyphenyl)propyl]piperidine-1-carboxamide
CID 110882626
3-(hydroxymethyl)-N-(1-propylpiperidin-4-yl)piperidine-1-carboxamide
CID 111508115
3-(hydroxymethyl)-N-[3-(4-methoxyphenyl)butyl]piperidine-1-carboxamide
CID 71868016
[4-[4-[(2,6-dimethoxyphenyl)methylamino]piperidin-1-yl]phenyl]-[(3S)-3-(hydroxymethyl)piperidin-1-yl]methanone
CID 42166659
(3R)-3-(hydroxymethyl)-N-[[(3R)-1-(3-methoxyphenyl)pyrrolidin-3-yl]methyl]piperidine-1-carboxamide
CID 98763526
3-(hydroxymethyl)-N-(4-methoxyphenyl)pyrrolidine-1-carboxamide
CID 62372910
4-(4-methoxyphenyl)-N-[(3S)-1-(4-methoxyphenyl)-5-oxopyrrolidin-3-yl]piperazine-1-carboxamide
CID 7163162
2-hydroxy-1-[(3R)-3-[4-(4-methoxyphenyl)piperazin-1-yl]piperidin-1-yl]ethanone
CID 95714702
N-[1-[4-(dimethylamino)phenyl]piperidin-4-yl]-3-hydroxypiperidine-1-carboxamide
CID 111508241

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(hydroxymethyl)-N-[1-(4-methoxyphenyl)piperidin-4-yl]piperidine-1-carboxamide?
The IUPAC name of (3S)-3-(hydroxymethyl)-N-[1-(4-methoxyphenyl)piperidin-4-yl]piperidine-1-carboxamide (CID 95597540) is (3S)-3-(hydroxymethyl)-N-[1-(4-methoxyphenyl)piperidin-4-yl]piperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-(hydroxymethyl)-N-[1-(4-methoxyphenyl)piperidin-4-yl]piperidine-1-carboxamide?
The canonical SMILES for (3S)-3-(hydroxymethyl)-N-[1-(4-methoxyphenyl)piperidin-4-yl]piperidine-1-carboxamide is COc1ccc(N2CCC(NC(=O)N3CCC[C@H](CO)C3)CC2)cc1.
What is the InChIKey of (3S)-3-(hydroxymethyl)-N-[1-(4-methoxyphenyl)piperidin-4-yl]piperidine-1-carboxamide?
The InChIKey is KDASVBWDGNSGQU-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H29N3O3/c1-25-18-6-4-17(5-7-18)21-11-8-16(9-12-21)20-19(24)22-10-2-3-15(13-22)14-23/h4-7,15-16,23H,2-3,8-14H2,1H3,(H,20,24)/t15-/m0/s1.
What are the key properties of (3S)-3-(hydroxymethyl)-N-[1-(4-methoxyphenyl)piperidin-4-yl]piperidine-1-carboxamide?
(3S)-3-(hydroxymethyl)-N-[1-(4-methoxyphenyl)piperidin-4-yl]piperidine-1-carboxamide has a molecular weight of 347.46 g/mol, XLogP of 2.08, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(hydroxymethyl)-N-[1-(4-methoxyphenyl)piperidin-4-yl]piperidine-1-carboxamide is sourced from PubChem (CID 95597540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).