(3S)-3-(dimethylamino)-N-[(2S)-2-methyl-3-thiophen-2-ylpropyl]piperidine-1-carboxamide

C16H27N3OS — CID 95967512

IUPAC(3S)-3-(dimethylamino)-N-[(2S)-2-methyl-3-thiophen-2-ylpropyl]piperidine-1-carboxamide
SMILESC[C@H](CNC(=O)N1CCC[C@H](N(C)C)C1)Cc1cccs1
InChIInChI=1S/C16H27N3OS/c1-13(10-15-7-5-9-21-15)11-17-16(20)19-8-4-6-14(12-19)18(2)3/h5,7,9,13-14H,4,6,8,10-12H2,1-3H3,(H,17,20)/t13-,14-/m0/s1
InChIKeyURPOYASVZPZHEK-KBPBESRZSA-N
MW309.48 g/mol
LogP2.66
Rot. Bonds5

About (3S)-3-(dimethylamino)-N-[(2S)-2-methyl-3-thiophen-2-ylpropyl]piperidine-1-carboxamide

(3S)-3-(dimethylamino)-N-[(2S)-2-methyl-3-thiophen-2-ylpropyl]piperidine-1-carboxamide (PubChem CID 95967512) has the molecular formula C16H27N3OS and a molecular weight of 309.48 g/mol. Its IUPAC name is (3S)-3-(dimethylamino)-N-[(2S)-2-methyl-3-thiophen-2-ylpropyl]piperidine-1-carboxamide.

Molecular Properties

Compound Name(3S)-3-(dimethylamino)-N-[(2S)-2-methyl-3-thiophen-2-ylpropyl]piperidine-1-carboxamide
PubChem CID95967512
Molecular FormulaC16H27N3OS
Molecular Weight309.48 g/mol
Exact Mass309.19
IUPAC Name(3S)-3-(dimethylamino)-N-[(2S)-2-methyl-3-thiophen-2-ylpropyl]piperidine-1-carboxamide
SMILESC[C@H](CNC(=O)N1CCC[C@H](N(C)C)C1)Cc1cccs1
InChIInChI=1S/C16H27N3OS/c1-13(10-15-7-5-9-21-15)11-17-16(20)19-8-4-6-14(12-19)18(2)3/h5,7,9,13-14H,4,6,8,10-12H2,1-3H3,(H,17,20)/t13-,14-/m0/s1
InChIKeyURPOYASVZPZHEK-KBPBESRZSA-N
XLogP2.66
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.48
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-[2-(Dimethylamino)-3-phenylpropyl]-3-(1-thiophen-3-ylpropan-2-yl)urea
CID 71887675
1-[(2S)-2-(dimethylamino)-3-phenylpropyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea
CID 94438674
1-Cyclohexyl-3-(1-thiophen-2-ylpropan-2-yl)urea
CID 2999174
1-Cyclohexyl-3-(1-(4-ethylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl)urea
CID 9550501
1-Cyclohexyl-3-[1-[4-(phenylmethyl)-1-piperazinyl]-1-thiophen-2-ylpropan-2-yl]urea
CID 9550850
1-Phenethyl-3-(2-(4-(thiophen-2-yl)piperidin-1-yl)ethyl)urea
CID 71787153
N-benzyl-N'-isopropyl-N-(2-thienylmethyl)urea
CID 2726750
N-[2-(4-ethylpiperazin-1-yl)-1-methyl-2-thien-2-ylethyl]-3-methylbutanamide
CID 3237871
2-methyl-N-[1-methyl-2-(4-methylpiperazin-1-yl)-2-thien-2-ylethyl]propanamide
CID 3243425
N-[1-(4-ethylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl]-2-methylpropanamide
CID 4654599
1-Cyclohexyl-3-(1-(4-methylpiperazin-1-yl)-1-(thiophen-2-yl)propan-2-yl)urea
CID 5310349
1-[2-(dimethylamino)-3-phenylpropyl]-3-[(2S)-1-thiophen-3-ylpropan-2-yl]urea
CID 124186392

Frequently Asked Questions

What is the IUPAC name of (3S)-3-(dimethylamino)-N-[(2S)-2-methyl-3-thiophen-2-ylpropyl]piperidine-1-carboxamide?
The IUPAC name of (3S)-3-(dimethylamino)-N-[(2S)-2-methyl-3-thiophen-2-ylpropyl]piperidine-1-carboxamide (CID 95967512) is (3S)-3-(dimethylamino)-N-[(2S)-2-methyl-3-thiophen-2-ylpropyl]piperidine-1-carboxamide.
What is the SMILES notation for (3S)-3-(dimethylamino)-N-[(2S)-2-methyl-3-thiophen-2-ylpropyl]piperidine-1-carboxamide?
The canonical SMILES for (3S)-3-(dimethylamino)-N-[(2S)-2-methyl-3-thiophen-2-ylpropyl]piperidine-1-carboxamide is C[C@H](CNC(=O)N1CCC[C@H](N(C)C)C1)Cc1cccs1.
What is the InChIKey of (3S)-3-(dimethylamino)-N-[(2S)-2-methyl-3-thiophen-2-ylpropyl]piperidine-1-carboxamide?
The InChIKey is URPOYASVZPZHEK-KBPBESRZSA-N. The full InChI is InChI=1S/C16H27N3OS/c1-13(10-15-7-5-9-21-15)11-17-16(20)19-8-4-6-14(12-19)18(2)3/h5,7,9,13-14H,4,6,8,10-12H2,1-3H3,(H,17,20)/t13-,14-/m0/s1.
What are the key properties of (3S)-3-(dimethylamino)-N-[(2S)-2-methyl-3-thiophen-2-ylpropyl]piperidine-1-carboxamide?
(3S)-3-(dimethylamino)-N-[(2S)-2-methyl-3-thiophen-2-ylpropyl]piperidine-1-carboxamide has a molecular weight of 309.48 g/mol, XLogP of 2.66, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-3-(dimethylamino)-N-[(2S)-2-methyl-3-thiophen-2-ylpropyl]piperidine-1-carboxamide is sourced from PubChem (CID 95967512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).