1-[1-(2-aminohexanoyl)piperidin-4-yl]-3-methylurea

C13H26N4O2 — CID 175151370

IUPAC1-[1-(2-aminohexanoyl)piperidin-4-yl]-3-methylurea
SMILESCCCCC(N)C(=O)N1CCC(NC(=O)NC)CC1
InChIInChI=1S/C13H26N4O2/c1-3-4-5-11(14)12(18)17-8-6-10(7-9-17)16-13(19)15-2/h10-11H,3-9,14H2,1-2H3,(H2,15,16,19)
InChIKeyXWTMHYMSVJKWOA-UHFFFAOYSA-N
MW270.38 g/mol
LogP0.42
Rot. Bonds5

About 1-[1-(2-aminohexanoyl)piperidin-4-yl]-3-methylurea

1-[1-(2-aminohexanoyl)piperidin-4-yl]-3-methylurea (PubChem CID 175151370) has the molecular formula C13H26N4O2 and a molecular weight of 270.38 g/mol. Its IUPAC name is 1-[1-(2-aminohexanoyl)piperidin-4-yl]-3-methylurea.

Molecular Properties

Compound Name1-[1-(2-aminohexanoyl)piperidin-4-yl]-3-methylurea
PubChem CID175151370
Molecular FormulaC13H26N4O2
Molecular Weight270.38 g/mol
Exact Mass270.21
IUPAC Name1-[1-(2-aminohexanoyl)piperidin-4-yl]-3-methylurea
SMILESCCCCC(N)C(=O)N1CCC(NC(=O)NC)CC1
InChIInChI=1S/C13H26N4O2/c1-3-4-5-11(14)12(18)17-8-6-10(7-9-17)16-13(19)15-2/h10-11H,3-9,14H2,1-2H3,(H2,15,16,19)
InChIKeyXWTMHYMSVJKWOA-UHFFFAOYSA-N
XLogP0.42
TPSA87.46 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.38
LogP ≤ 50.42
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

1-[1-(2-aminopentanoyl)piperidin-4-yl]-3-cyclohexylurea;hydrochloride
CID 119304288
(2S)-2-amino-1-(4-propylpiperidin-1-yl)hexan-1-one
CID 113304805
1-[1-[6-amino-2-(methylamino)hexanoyl]piperidin-4-yl]-3-methylurea
CID 145414129
(2S)-2-amino-1-(4-ethoxypiperidin-1-yl)hexan-1-one
CID 103831470
(2S)-2-amino-1-[4-(trifluoromethyl)piperidin-1-yl]hexan-1-one
CID 103831247
(2S)-2-amino-1-(4-methylazepan-1-yl)hexan-1-one
CID 103831654
2-amino-1-(4-methylazepan-1-yl)hexan-1-one
CID 63626506
2-[1-[(2S)-2-aminohexanoyl]piperidin-4-yl]acetic acid
CID 107145977
1-(2-aminohexanoyl)-N-butylpiperidine-4-carboxamide
CID 60963512
1-[(2S)-2-aminohexanoyl]-N,N-dimethylpiperidine-4-carboxamide
CID 93370949
1-[1-[(2S)-2-aminobutanoyl]piperidin-4-yl]-3-cyclohexylurea;hydrochloride
CID 86813571
(2S)-2-amino-1-[3-(1-hydroxyethyl)pyrrolidin-1-yl]hexan-1-one
CID 107146417

Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-aminohexanoyl)piperidin-4-yl]-3-methylurea?
The IUPAC name of 1-[1-(2-aminohexanoyl)piperidin-4-yl]-3-methylurea (CID 175151370) is 1-[1-(2-aminohexanoyl)piperidin-4-yl]-3-methylurea.
What is the SMILES notation for 1-[1-(2-aminohexanoyl)piperidin-4-yl]-3-methylurea?
The canonical SMILES for 1-[1-(2-aminohexanoyl)piperidin-4-yl]-3-methylurea is CCCCC(N)C(=O)N1CCC(NC(=O)NC)CC1.
What is the InChIKey of 1-[1-(2-aminohexanoyl)piperidin-4-yl]-3-methylurea?
The InChIKey is XWTMHYMSVJKWOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H26N4O2/c1-3-4-5-11(14)12(18)17-8-6-10(7-9-17)16-13(19)15-2/h10-11H,3-9,14H2,1-2H3,(H2,15,16,19).
What are the key properties of 1-[1-(2-aminohexanoyl)piperidin-4-yl]-3-methylurea?
1-[1-(2-aminohexanoyl)piperidin-4-yl]-3-methylurea has a molecular weight of 270.38 g/mol, XLogP of 0.42, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-aminohexanoyl)piperidin-4-yl]-3-methylurea is sourced from PubChem (CID 175151370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).