N-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-methylpiperidine-1-carboxamide

C18H29N3O — CID 60547159

IUPACN-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-methylpiperidine-1-carboxamide
SMILESCC1CCCN(C(=O)NC(Cc2ccccc2)CN(C)C)C1
InChIInChI=1S/C18H29N3O/c1-15-8-7-11-21(13-15)18(22)19-17(14-20(2)3)12-16-9-5-4-6-10-16/h4-6,9-10,15,17H,7-8,11-14H2,1-3H3,(H,19,22)
InChIKeyMIRJWBXFPBSLPC-UHFFFAOYSA-N
MW303.45 g/mol
LogP2.60
Rot. Bonds5

About N-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-methylpiperidine-1-carboxamide

N-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-methylpiperidine-1-carboxamide (PubChem CID 60547159) has the molecular formula C18H29N3O and a molecular weight of 303.45 g/mol. Its IUPAC name is N-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-methylpiperidine-1-carboxamide.

Molecular Properties

Compound NameN-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-methylpiperidine-1-carboxamide
PubChem CID60547159
Molecular FormulaC18H29N3O
Molecular Weight303.45 g/mol
Exact Mass303.23
IUPAC NameN-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-methylpiperidine-1-carboxamide
SMILESCC1CCCN(C(=O)NC(Cc2ccccc2)CN(C)C)C1
InChIInChI=1S/C18H29N3O/c1-15-8-7-11-21(13-15)18(22)19-17(14-20(2)3)12-16-9-5-4-6-10-16/h4-6,9-10,15,17H,7-8,11-14H2,1-3H3,(H,19,22)
InChIKeyMIRJWBXFPBSLPC-UHFFFAOYSA-N
XLogP2.60
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.45
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

4-[(4-methylazepane-1-carbonyl)amino]-5-phenylpentanoic acid
CID 122027118
4-[(3-methylpyrrolidine-1-carbonyl)amino]-5-phenylpentanoic acid
CID 120728792
ethyl 1-[[1-(dimethylamino)-3-phenylpropan-2-yl]carbamoyl]piperidine-4-carboxylate
CID 60547124
N-[(2R)-1-hydroxy-3-phenylpropan-2-yl]-4-methylpiperidine-1-carboxamide
CID 107860839
N-(1,2-diphenylethyl)-3-methylpyrrolidine-1-carboxamide
CID 86880551
2-methyl-1-(3-methylpiperidin-1-yl)-3-phenylpropan-1-one
CID 110355924
1,3-bis[(2R)-1-(dimethylamino)-3-phenylpropan-2-yl]urea
CID 124628917
1-[(2S)-1-(dimethylamino)-3-phenylpropan-2-yl]-3-[(2R)-1-(dimethylamino)-3-phenylpropan-2-yl]urea
CID 124628915
1-cyclopentyl-3-[1-(dimethylamino)-3-phenylpropan-2-yl]urea
CID 60544383
1-(3,4-dichlorobenzoyl)-N-[1-(dimethylamino)-3-phenylpropan-2-yl]piperidine-3-carboxamide
CID 55952518
N-(1-hydroxy-3-phenylpropan-2-yl)pyrrolidine-1-carboxamide
CID 113224124
N-(1-phenyl-3-sulfanylpropan-2-yl)pyrrolidine-1-carboxamide
CID 22905459

Frequently Asked Questions

What is the IUPAC name of N-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-methylpiperidine-1-carboxamide?
The IUPAC name of N-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-methylpiperidine-1-carboxamide (CID 60547159) is N-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-methylpiperidine-1-carboxamide.
What is the SMILES notation for N-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-methylpiperidine-1-carboxamide?
The canonical SMILES for N-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-methylpiperidine-1-carboxamide is CC1CCCN(C(=O)NC(Cc2ccccc2)CN(C)C)C1.
What is the InChIKey of N-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-methylpiperidine-1-carboxamide?
The InChIKey is MIRJWBXFPBSLPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H29N3O/c1-15-8-7-11-21(13-15)18(22)19-17(14-20(2)3)12-16-9-5-4-6-10-16/h4-6,9-10,15,17H,7-8,11-14H2,1-3H3,(H,19,22).
What are the key properties of N-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-methylpiperidine-1-carboxamide?
N-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-methylpiperidine-1-carboxamide has a molecular weight of 303.45 g/mol, XLogP of 2.60, 5 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(dimethylamino)-3-phenylpropan-2-yl]-3-methylpiperidine-1-carboxamide is sourced from PubChem (CID 60547159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).