N-[4-(carbamoylamino)-3-methoxyphenyl]-3-piperidin-3-ylbutanamide

C17H26N4O3 — CID 119779708

IUPACN-[4-(carbamoylamino)-3-methoxyphenyl]-3-piperidin-3-ylbutanamide
SMILESCOc1cc(NC(=O)CC(C)C2CCCNC2)ccc1NC(N)=O
InChIInChI=1S/C17H26N4O3/c1-11(12-4-3-7-19-10-12)8-16(22)20-13-5-6-14(21-17(18)23)15(9-13)24-2/h5-6,9,11-12,19H,3-4,7-8,10H2,1-2H3,(H,20,22)(H3,18,21,23)
InChIKeyUNOYFELTFXJFNI-UHFFFAOYSA-N
MW334.42 g/mol
LogP2.15
Rot. Bonds6

About N-[4-(carbamoylamino)-3-methoxyphenyl]-3-piperidin-3-ylbutanamide

N-[4-(carbamoylamino)-3-methoxyphenyl]-3-piperidin-3-ylbutanamide (PubChem CID 119779708) has the molecular formula C17H26N4O3 and a molecular weight of 334.42 g/mol. Its IUPAC name is N-[4-(carbamoylamino)-3-methoxyphenyl]-3-piperidin-3-ylbutanamide.

Molecular Properties

Compound NameN-[4-(carbamoylamino)-3-methoxyphenyl]-3-piperidin-3-ylbutanamide
PubChem CID119779708
Molecular FormulaC17H26N4O3
Molecular Weight334.42 g/mol
Exact Mass334.20
IUPAC NameN-[4-(carbamoylamino)-3-methoxyphenyl]-3-piperidin-3-ylbutanamide
SMILESCOc1cc(NC(=O)CC(C)C2CCCNC2)ccc1NC(N)=O
InChIInChI=1S/C17H26N4O3/c1-11(12-4-3-7-19-10-12)8-16(22)20-13-5-6-14(21-17(18)23)15(9-13)24-2/h5-6,9,11-12,19H,3-4,7-8,10H2,1-2H3,(H,20,22)(H3,18,21,23)
InChIKeyUNOYFELTFXJFNI-UHFFFAOYSA-N
XLogP2.15
TPSA105.48 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500334.42
LogP ≤ 52.15
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

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Related Compounds

N-[4-methoxy-3-(2-methoxyethoxy)phenyl]-3-piperidin-3-ylbutanamide;hydrochloride
CID 119723367
N-(2-methoxyphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670527
N-(4-methoxyphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670993
3-piperidin-3-yl-N-(2,3,4-trimethoxyphenyl)butanamide
CID 119761607
3-(3-piperidin-3-ylbutanoylamino)benzamide
CID 81049250
3-piperidin-3-yl-N-(2-propan-2-yloxyphenyl)butanamide
CID 119714859
N-(3,5-difluoro-4-methoxyphenyl)-3-piperidin-3-ylbutanamide
CID 119725624
N-(3-acetamidophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119671636
N-(4-cyclobutyloxy-3-fluorophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119811125
N-[2-(3-amino-3-oxopropoxy)phenyl]-3-piperidin-3-ylbutanamide
CID 119733611
N-(4-bromophenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119670352
N-(3-bromo-4-methylphenyl)-3-piperidin-3-ylbutanamide;hydrochloride
CID 119704625

Frequently Asked Questions

What is the IUPAC name of N-[4-(carbamoylamino)-3-methoxyphenyl]-3-piperidin-3-ylbutanamide?
The IUPAC name of N-[4-(carbamoylamino)-3-methoxyphenyl]-3-piperidin-3-ylbutanamide (CID 119779708) is N-[4-(carbamoylamino)-3-methoxyphenyl]-3-piperidin-3-ylbutanamide.
What is the SMILES notation for N-[4-(carbamoylamino)-3-methoxyphenyl]-3-piperidin-3-ylbutanamide?
The canonical SMILES for N-[4-(carbamoylamino)-3-methoxyphenyl]-3-piperidin-3-ylbutanamide is COc1cc(NC(=O)CC(C)C2CCCNC2)ccc1NC(N)=O.
What is the InChIKey of N-[4-(carbamoylamino)-3-methoxyphenyl]-3-piperidin-3-ylbutanamide?
The InChIKey is UNOYFELTFXJFNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H26N4O3/c1-11(12-4-3-7-19-10-12)8-16(22)20-13-5-6-14(21-17(18)23)15(9-13)24-2/h5-6,9,11-12,19H,3-4,7-8,10H2,1-2H3,(H,20,22)(H3,18,21,23).
What are the key properties of N-[4-(carbamoylamino)-3-methoxyphenyl]-3-piperidin-3-ylbutanamide?
N-[4-(carbamoylamino)-3-methoxyphenyl]-3-piperidin-3-ylbutanamide has a molecular weight of 334.42 g/mol, XLogP of 2.15, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(carbamoylamino)-3-methoxyphenyl]-3-piperidin-3-ylbutanamide is sourced from PubChem (CID 119779708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).