N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-piperidin-3-ylbutanamide

C21H34N2O3 — CID 119721204

IUPACN-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-piperidin-3-ylbutanamide
SMILESCOc1cc(C(C)NC(=O)CC(C)C2CCCNC2)ccc1OC(C)C
InChIInChI=1S/C21H34N2O3/c1-14(2)26-19-9-8-17(12-20(19)25-5)16(4)23-21(24)11-15(3)18-7-6-10-22-13-18/h8-9,12,14-16,18,22H,6-7,10-11,13H2,1-5H3,(H,23,24)
InChIKeyKDZKIPJKUUTLLW-UHFFFAOYSA-N
MW362.51 g/mol
LogP3.69
Rot. Bonds8

About N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-piperidin-3-ylbutanamide

N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-piperidin-3-ylbutanamide (PubChem CID 119721204) has the molecular formula C21H34N2O3 and a molecular weight of 362.51 g/mol. Its IUPAC name is N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-piperidin-3-ylbutanamide
PubChem CID119721204
Molecular FormulaC21H34N2O3
Molecular Weight362.51 g/mol
Exact Mass362.26
IUPAC NameN-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-piperidin-3-ylbutanamide
SMILESCOc1cc(C(C)NC(=O)CC(C)C2CCCNC2)ccc1OC(C)C
InChIInChI=1S/C21H34N2O3/c1-14(2)26-19-9-8-17(12-20(19)25-5)16(4)23-21(24)11-15(3)18-7-6-10-22-13-18/h8-9,12,14-16,18,22H,6-7,10-11,13H2,1-5H3,(H,23,24)
InChIKeyKDZKIPJKUUTLLW-UHFFFAOYSA-N
XLogP3.69
TPSA59.59 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.51
LogP ≤ 53.69
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[1-(3-bromo-4-methoxyphenyl)ethyl]-3-piperidin-3-ylbutanamide
CID 119694049
N-[1-(3,4-difluorophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119686367
N-[1-(3-chloro-4-fluorophenyl)ethyl]-3-piperidin-3-ylbutanamide
CID 119745659
N-[1-(1,3-benzodioxol-5-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119699863
N-[1-(3-bromophenyl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119716419
3-piperidin-3-yl-N-[1-[4-(trifluoromethyl)phenyl]ethyl]butanamide
CID 119706901
N-[1-(4-butoxy-3-methoxyphenyl)ethyl]-3-piperidin-4-ylbutanamide
CID 119736423
3-piperidin-3-yl-N-[1-[3-(trifluoromethyl)phenyl]ethyl]butanamide
CID 119686323
N-[1-(4-methoxyphenyl)-2-methylpropyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119693479
N-[1-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)ethyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119729798
N-[1-[4-(cyclopropylcarbamoylamino)phenyl]ethyl]-3-piperidin-3-ylbutanamide
CID 119735236
N-[(2,5-dimethoxyphenyl)methyl]-3-piperidin-3-ylbutanamide
CID 119703187

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-piperidin-3-ylbutanamide?
The IUPAC name of N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-piperidin-3-ylbutanamide (CID 119721204) is N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-piperidin-3-ylbutanamide is COc1cc(C(C)NC(=O)CC(C)C2CCCNC2)ccc1OC(C)C.
What is the InChIKey of N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-piperidin-3-ylbutanamide?
The InChIKey is KDZKIPJKUUTLLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H34N2O3/c1-14(2)26-19-9-8-17(12-20(19)25-5)16(4)23-21(24)11-15(3)18-7-6-10-22-13-18/h8-9,12,14-16,18,22H,6-7,10-11,13H2,1-5H3,(H,23,24).
What are the key properties of N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-piperidin-3-ylbutanamide?
N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-piperidin-3-ylbutanamide has a molecular weight of 362.51 g/mol, XLogP of 3.69, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(3-methoxy-4-propan-2-yloxyphenyl)ethyl]-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 119721204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).