N-(4-methylpentyl)-2-[4-(propan-2-ylamino)piperidin-1-yl]acetamide

C16H33N3O — CID 171640050

IUPACN-(4-methylpentyl)-2-[4-(propan-2-ylamino)piperidin-1-yl]acetamide
SMILESCC(C)CCCNC(=O)CN1CCC(NC(C)C)CC1
InChIInChI=1S/C16H33N3O/c1-13(2)6-5-9-17-16(20)12-19-10-7-15(8-11-19)18-14(3)4/h13-15,18H,5-12H2,1-4H3,(H,17,20)
InChIKeyKXKBBKMWSNKFRN-UHFFFAOYSA-N
MW283.46 g/mol
LogP2.00
Rot. Bonds8

About N-(4-methylpentyl)-2-[4-(propan-2-ylamino)piperidin-1-yl]acetamide

N-(4-methylpentyl)-2-[4-(propan-2-ylamino)piperidin-1-yl]acetamide (PubChem CID 171640050) has the molecular formula C16H33N3O and a molecular weight of 283.46 g/mol. Its IUPAC name is N-(4-methylpentyl)-2-[4-(propan-2-ylamino)piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-(4-methylpentyl)-2-[4-(propan-2-ylamino)piperidin-1-yl]acetamide
PubChem CID171640050
Molecular FormulaC16H33N3O
Molecular Weight283.46 g/mol
Exact Mass283.26
IUPAC NameN-(4-methylpentyl)-2-[4-(propan-2-ylamino)piperidin-1-yl]acetamide
SMILESCC(C)CCCNC(=O)CN1CCC(NC(C)C)CC1
InChIInChI=1S/C16H33N3O/c1-13(2)6-5-9-17-16(20)12-19-10-7-15(8-11-19)18-14(3)4/h13-15,18H,5-12H2,1-4H3,(H,17,20)
InChIKeyKXKBBKMWSNKFRN-UHFFFAOYSA-N
XLogP2.00
TPSA44.37 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.46
LogP ≤ 52.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[4-(carboxymethyl)-7-[2-(4-methylpentylamino)-2-oxoethyl]-1,4,7-triazonan-1-yl]acetic acid
CID 155715635
2-[4-(propan-2-ylamino)piperidin-1-yl]acetic acid
CID 163704701
5-[[2-(4-aminopiperidin-1-yl)acetyl]amino]-2-methylpentanoic acid
CID 104685674
2-(1,4-diazepan-1-yl)-N-(7-methyloctyl)acetamide
CID 62839599
1-(3-methylbutyl)-N-propan-2-ylpiperidin-4-amine
CID 164928841
methyl 4-[[2-[3-(methylamino)pyrrolidin-1-yl]acetyl]amino]butanoate
CID 113281991
2-[4,7-bis(carboxymethyl)-10-[2-(3-methylbutylamino)-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 144632166
2-[4,7-bis(carboxymethyl)-10-[2-[[4-(4-methylpentylcarbamoyl)cyclohexyl]methylamino]-2-oxoethyl]-1,4,7,10-tetrazacyclododec-1-yl]acetic acid
CID 171639916
2-methyl-3-(methylamino)-N-[1-[2-oxo-2-(propylamino)ethyl]piperidin-4-yl]propanamide
CID 119853535
N-butyl-2-[4-[(2-methylpropylamino)methyl]piperidin-1-yl]acetamide
CID 63848436
1-[5-(methylamino)pentyl]-N-propan-2-ylpiperidin-4-amine
CID 155741227
3-(cyclopropylamino)-N-(4-methylpentyl)propanamide
CID 61043178

Frequently Asked Questions

What is the IUPAC name of N-(4-methylpentyl)-2-[4-(propan-2-ylamino)piperidin-1-yl]acetamide?
The IUPAC name of N-(4-methylpentyl)-2-[4-(propan-2-ylamino)piperidin-1-yl]acetamide (CID 171640050) is N-(4-methylpentyl)-2-[4-(propan-2-ylamino)piperidin-1-yl]acetamide.
What is the SMILES notation for N-(4-methylpentyl)-2-[4-(propan-2-ylamino)piperidin-1-yl]acetamide?
The canonical SMILES for N-(4-methylpentyl)-2-[4-(propan-2-ylamino)piperidin-1-yl]acetamide is CC(C)CCCNC(=O)CN1CCC(NC(C)C)CC1.
What is the InChIKey of N-(4-methylpentyl)-2-[4-(propan-2-ylamino)piperidin-1-yl]acetamide?
The InChIKey is KXKBBKMWSNKFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H33N3O/c1-13(2)6-5-9-17-16(20)12-19-10-7-15(8-11-19)18-14(3)4/h13-15,18H,5-12H2,1-4H3,(H,17,20).
What are the key properties of N-(4-methylpentyl)-2-[4-(propan-2-ylamino)piperidin-1-yl]acetamide?
N-(4-methylpentyl)-2-[4-(propan-2-ylamino)piperidin-1-yl]acetamide has a molecular weight of 283.46 g/mol, XLogP of 2.00, 8 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methylpentyl)-2-[4-(propan-2-ylamino)piperidin-1-yl]acetamide is sourced from PubChem (CID 171640050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).