N-cyclopropyl-3-[(3S)-1-[4-(dimethylamino)benzoyl]piperidin-3-yl]propanamide

C20H29N3O2 — CID 26397692

IUPACN-cyclopropyl-3-[(3S)-1-[4-(dimethylamino)benzoyl]piperidin-3-yl]propanamide
SMILESCN(C)c1ccc(C(=O)N2CCC[C@@H](CCC(=O)NC3CC3)C2)cc1
InChIInChI=1S/C20H29N3O2/c1-22(2)18-10-6-16(7-11-18)20(25)23-13-3-4-15(14-23)5-12-19(24)21-17-8-9-17/h6-7,10-11,15,17H,3-5,8-9,12-14H2,1-2H3,(H,21,24)/t15-/m0/s1
InChIKeySDIUTPMCXYVBOY-HNNXBMFYSA-N
MW343.47 g/mol
LogP2.66
Rot. Bonds6

About N-cyclopropyl-3-[(3S)-1-[4-(dimethylamino)benzoyl]piperidin-3-yl]propanamide

N-cyclopropyl-3-[(3S)-1-[4-(dimethylamino)benzoyl]piperidin-3-yl]propanamide (PubChem CID 26397692) has the molecular formula C20H29N3O2 and a molecular weight of 343.47 g/mol. Its IUPAC name is N-cyclopropyl-3-[(3S)-1-[4-(dimethylamino)benzoyl]piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[(3S)-1-[4-(dimethylamino)benzoyl]piperidin-3-yl]propanamide
PubChem CID26397692
Molecular FormulaC20H29N3O2
Molecular Weight343.47 g/mol
Exact Mass343.23
IUPAC NameN-cyclopropyl-3-[(3S)-1-[4-(dimethylamino)benzoyl]piperidin-3-yl]propanamide
SMILESCN(C)c1ccc(C(=O)N2CCC[C@@H](CCC(=O)NC3CC3)C2)cc1
InChIInChI=1S/C20H29N3O2/c1-22(2)18-10-6-16(7-11-18)20(25)23-13-3-4-15(14-23)5-12-19(24)21-17-8-9-17/h6-7,10-11,15,17H,3-5,8-9,12-14H2,1-2H3,(H,21,24)/t15-/m0/s1
InChIKeySDIUTPMCXYVBOY-HNNXBMFYSA-N
XLogP2.66
TPSA52.65 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.47
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-3-[(3S)-1-(4-propan-2-yloxybenzoyl)piperidin-3-yl]propanamide
CID 42308218
N-cyclopropyl-3-[1-(thiophene-3-carbonyl)piperidin-3-yl]propanamide
CID 45207272
[3-(bromomethyl)piperidin-1-yl]-[4-(dimethylamino)phenyl]methanone
CID 80660500
[(3R)-3-aminopiperidin-1-yl]-[4-(dimethylamino)phenyl]methanone
CID 102983493
3-chloro-N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]propanamide
CID 108567076
N-cyclopropyl-3-[[(3S)-1-[4-(dimethylamino)benzoyl]piperidin-3-yl]methoxy]benzamide
CID 92900952
(3-chloropiperidin-1-yl)-[4-(dimethylamino)phenyl]methanone
CID 63393268
3-[(3S)-1-(4-acetylbenzoyl)piperidin-3-yl]propanoic acid
CID 124681890
ethyl 4-[[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]amino]-4-oxobutanoate
CID 108567069
N-[1-[4-(dimethylamino)benzoyl]piperidin-4-yl]-3-phenoxypropanamide
CID 108554961
[3-[1-(cyclobutylmethyl)imidazol-2-yl]piperidin-1-yl]-[4-(dimethylamino)phenyl]methanone
CID 72941096
N-cyclopropyl-3-[1-[2-(1-methylpyrrol-3-yl)acetyl]piperidin-3-yl]propanamide
CID 45235322

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[(3S)-1-[4-(dimethylamino)benzoyl]piperidin-3-yl]propanamide?
The IUPAC name of N-cyclopropyl-3-[(3S)-1-[4-(dimethylamino)benzoyl]piperidin-3-yl]propanamide (CID 26397692) is N-cyclopropyl-3-[(3S)-1-[4-(dimethylamino)benzoyl]piperidin-3-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[(3S)-1-[4-(dimethylamino)benzoyl]piperidin-3-yl]propanamide?
The canonical SMILES for N-cyclopropyl-3-[(3S)-1-[4-(dimethylamino)benzoyl]piperidin-3-yl]propanamide is CN(C)c1ccc(C(=O)N2CCC[C@@H](CCC(=O)NC3CC3)C2)cc1.
What is the InChIKey of N-cyclopropyl-3-[(3S)-1-[4-(dimethylamino)benzoyl]piperidin-3-yl]propanamide?
The InChIKey is SDIUTPMCXYVBOY-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H29N3O2/c1-22(2)18-10-6-16(7-11-18)20(25)23-13-3-4-15(14-23)5-12-19(24)21-17-8-9-17/h6-7,10-11,15,17H,3-5,8-9,12-14H2,1-2H3,(H,21,24)/t15-/m0/s1.
What are the key properties of N-cyclopropyl-3-[(3S)-1-[4-(dimethylamino)benzoyl]piperidin-3-yl]propanamide?
N-cyclopropyl-3-[(3S)-1-[4-(dimethylamino)benzoyl]piperidin-3-yl]propanamide has a molecular weight of 343.47 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[(3S)-1-[4-(dimethylamino)benzoyl]piperidin-3-yl]propanamide is sourced from PubChem (CID 26397692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).