N-cyclopropyl-3-[(3S)-1-(4-propan-2-yloxybenzoyl)piperidin-3-yl]propanamide

C21H30N2O3 — CID 42308218

IUPACN-cyclopropyl-3-[(3S)-1-(4-propan-2-yloxybenzoyl)piperidin-3-yl]propanamide
SMILESCC(C)Oc1ccc(C(=O)N2CCC[C@@H](CCC(=O)NC3CC3)C2)cc1
InChIInChI=1S/C21H30N2O3/c1-15(2)26-19-10-6-17(7-11-19)21(25)23-13-3-4-16(14-23)5-12-20(24)22-18-8-9-18/h6-7,10-11,15-16,18H,3-5,8-9,12-14H2,1-2H3,(H,22,24)/t16-/m0/s1
InChIKeyAYYJVEDLCNJGCE-INIZCTEOSA-N
MW358.48 g/mol
LogP3.38
Rot. Bonds7

About N-cyclopropyl-3-[(3S)-1-(4-propan-2-yloxybenzoyl)piperidin-3-yl]propanamide

N-cyclopropyl-3-[(3S)-1-(4-propan-2-yloxybenzoyl)piperidin-3-yl]propanamide (PubChem CID 42308218) has the molecular formula C21H30N2O3 and a molecular weight of 358.48 g/mol. Its IUPAC name is N-cyclopropyl-3-[(3S)-1-(4-propan-2-yloxybenzoyl)piperidin-3-yl]propanamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[(3S)-1-(4-propan-2-yloxybenzoyl)piperidin-3-yl]propanamide
PubChem CID42308218
Molecular FormulaC21H30N2O3
Molecular Weight358.48 g/mol
Exact Mass358.23
IUPAC NameN-cyclopropyl-3-[(3S)-1-(4-propan-2-yloxybenzoyl)piperidin-3-yl]propanamide
SMILESCC(C)Oc1ccc(C(=O)N2CCC[C@@H](CCC(=O)NC3CC3)C2)cc1
InChIInChI=1S/C21H30N2O3/c1-15(2)26-19-10-6-17(7-11-19)21(25)23-13-3-4-16(14-23)5-12-20(24)22-18-8-9-18/h6-7,10-11,15-16,18H,3-5,8-9,12-14H2,1-2H3,(H,22,24)/t16-/m0/s1
InChIKeyAYYJVEDLCNJGCE-INIZCTEOSA-N
XLogP3.38
TPSA58.64 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.48
LogP ≤ 53.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-cyclopropyl-3-[(3S)-1-[4-(dimethylamino)benzoyl]piperidin-3-yl]propanamide
CID 26397692
N-cyclopropyl-3-[1-(thiophene-3-carbonyl)piperidin-3-yl]propanamide
CID 45207272
[3-(2-chloroethyl)pyrrolidin-1-yl]-(4-propan-2-yloxyphenyl)methanone
CID 114801057
[(3S)-3-hydroxypiperidin-1-yl]-(4-propan-2-yloxyphenyl)methanone
CID 39950124
N-cyclopropyl-3-[(3R)-1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]piperidin-3-yl]propanamide
CID 42119464
N-cyclopropyl-3-[(3S)-1-[(E)-3-(4-methoxyphenyl)prop-2-enoyl]piperidin-3-yl]propanamide
CID 42119469
[4-(difluoromethoxy)phenyl]-[3-(3-methoxypropyl)piperidin-1-yl]methanone
CID 70775695
N-cyclopropyl-4-[[(3R)-1-(4-methylbenzoyl)piperidin-3-yl]methoxy]benzamide
CID 95097896
[(3R)-3-hydroxypyrrolidin-1-yl]-(4-propan-2-yloxyphenyl)methanone
CID 66262351
(3-aminopiperidin-1-yl)-(4-butan-2-yloxyphenyl)methanone;hydrochloride
CID 119380613
3-[(3S)-1-(4-acetylbenzoyl)piperidin-3-yl]propanoic acid
CID 124681890
N-cyclopropyl-4-[[(3S)-1-(4-ethylbenzoyl)piperidin-3-yl]methoxy]benzamide
CID 95097799

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[(3S)-1-(4-propan-2-yloxybenzoyl)piperidin-3-yl]propanamide?
The IUPAC name of N-cyclopropyl-3-[(3S)-1-(4-propan-2-yloxybenzoyl)piperidin-3-yl]propanamide (CID 42308218) is N-cyclopropyl-3-[(3S)-1-(4-propan-2-yloxybenzoyl)piperidin-3-yl]propanamide.
What is the SMILES notation for N-cyclopropyl-3-[(3S)-1-(4-propan-2-yloxybenzoyl)piperidin-3-yl]propanamide?
The canonical SMILES for N-cyclopropyl-3-[(3S)-1-(4-propan-2-yloxybenzoyl)piperidin-3-yl]propanamide is CC(C)Oc1ccc(C(=O)N2CCC[C@@H](CCC(=O)NC3CC3)C2)cc1.
What is the InChIKey of N-cyclopropyl-3-[(3S)-1-(4-propan-2-yloxybenzoyl)piperidin-3-yl]propanamide?
The InChIKey is AYYJVEDLCNJGCE-INIZCTEOSA-N. The full InChI is InChI=1S/C21H30N2O3/c1-15(2)26-19-10-6-17(7-11-19)21(25)23-13-3-4-16(14-23)5-12-20(24)22-18-8-9-18/h6-7,10-11,15-16,18H,3-5,8-9,12-14H2,1-2H3,(H,22,24)/t16-/m0/s1.
What are the key properties of N-cyclopropyl-3-[(3S)-1-(4-propan-2-yloxybenzoyl)piperidin-3-yl]propanamide?
N-cyclopropyl-3-[(3S)-1-(4-propan-2-yloxybenzoyl)piperidin-3-yl]propanamide has a molecular weight of 358.48 g/mol, XLogP of 3.38, 7 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-propan-2-yloxybenzoyl)piperidin-3-yl]propanamide is sourced from PubChem (CID 42308218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).