1-[1-[6-amino-2-(methylamino)hexanoyl]piperidin-4-yl]-3-methylurea

C14H29N5O2 — CID 145414129

IUPAC1-[1-[6-amino-2-(methylamino)hexanoyl]piperidin-4-yl]-3-methylurea
SMILESCNC(=O)NC1CCN(C(=O)C(CCCCN)NC)CC1
InChIInChI=1S/C14H29N5O2/c1-16-12(5-3-4-8-15)13(20)19-9-6-11(7-10-19)18-14(21)17-2/h11-12,16H,3-10,15H2,1-2H3,(H2,17,18,21)
InChIKeyHHGSEPNRSSEUGF-UHFFFAOYSA-N
MW299.42 g/mol
LogP-0.38
Rot. Bonds7

About 1-[1-[6-amino-2-(methylamino)hexanoyl]piperidin-4-yl]-3-methylurea

1-[1-[6-amino-2-(methylamino)hexanoyl]piperidin-4-yl]-3-methylurea (PubChem CID 145414129) has the molecular formula C14H29N5O2 and a molecular weight of 299.42 g/mol. Its IUPAC name is 1-[1-[6-amino-2-(methylamino)hexanoyl]piperidin-4-yl]-3-methylurea.

Molecular Properties

Compound Name1-[1-[6-amino-2-(methylamino)hexanoyl]piperidin-4-yl]-3-methylurea
PubChem CID145414129
Molecular FormulaC14H29N5O2
Molecular Weight299.42 g/mol
Exact Mass299.23
IUPAC Name1-[1-[6-amino-2-(methylamino)hexanoyl]piperidin-4-yl]-3-methylurea
SMILESCNC(=O)NC1CCN(C(=O)C(CCCCN)NC)CC1
InChIInChI=1S/C14H29N5O2/c1-16-12(5-3-4-8-15)13(20)19-9-6-11(7-10-19)18-14(21)17-2/h11-12,16H,3-10,15H2,1-2H3,(H2,17,18,21)
InChIKeyHHGSEPNRSSEUGF-UHFFFAOYSA-N
XLogP-0.38
TPSA99.49 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.42
LogP ≤ 5-0.38
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

benzyl N-[6-amino-1-[4-(methylcarbamoylamino)piperidin-1-yl]-1-oxohexan-2-yl]carbamate
CID 175151366
N-[6-(methylamino)-1-[4-(methylcarbamoylamino)piperidin-1-yl]-1-oxohexan-2-yl]formamide
CID 138528550
1-[1-(2-aminohexanoyl)piperidin-4-yl]-3-methylurea
CID 175151370
N-[6-amino-1-[4-(methylcarbamoylamino)piperidin-1-yl]-1-oxohexan-2-yl]-2-[[2-[(2-amino-3-phenylpropanoyl)amino]-3-phenylpropanoyl]amino]-4-methylpentanamide
CID 146368271
N-[1-(5-amino-2-methylpentanoyl)piperidin-4-yl]cyclopropanecarboxamide
CID 104684454
5-amino-N-[1-(cyclopropanecarbonyl)piperidin-4-yl]-2-methylpentanamide
CID 104684107
N-[(2R)-1-[[(2S)-6-amino-1-oxo-1-(4-pyridin-4-ylpiperidin-1-yl)hexan-2-yl]amino]-3-(3,5-dibromo-4-hydroxyphenyl)-1-oxopropan-2-yl]-4-(methylcarbamoylamino)piperidine-1-carboxamide
CID 54310377
(2R)-N-[(2R)-6-amino-1-[4-(methylcarbamothioylamino)piperidin-1-yl]-1-oxohexan-2-yl]-2-[[(2R)-2-[[(2R)-2-amino-3-phenylpropanoyl]amino]-3-phenylpropanoyl]amino]-4-methylpentanamide
CID 167436762
1-[1-(3-amino-2-methylpropyl)pyrrolidin-3-yl]-3-methylurea
CID 123509031
(2S)-6-amino-2-(methylamino)hexanoic acid;dihydrochloride
CID 22872767
CID 171042672
CID 171042672
N-[1-(6-aminohexanoyl)piperidin-4-yl]-2-methylpropanamide
CID 60947434

Frequently Asked Questions

What is the IUPAC name of 1-[1-[6-amino-2-(methylamino)hexanoyl]piperidin-4-yl]-3-methylurea?
The IUPAC name of 1-[1-[6-amino-2-(methylamino)hexanoyl]piperidin-4-yl]-3-methylurea (CID 145414129) is 1-[1-[6-amino-2-(methylamino)hexanoyl]piperidin-4-yl]-3-methylurea.
What is the SMILES notation for 1-[1-[6-amino-2-(methylamino)hexanoyl]piperidin-4-yl]-3-methylurea?
The canonical SMILES for 1-[1-[6-amino-2-(methylamino)hexanoyl]piperidin-4-yl]-3-methylurea is CNC(=O)NC1CCN(C(=O)C(CCCCN)NC)CC1.
What is the InChIKey of 1-[1-[6-amino-2-(methylamino)hexanoyl]piperidin-4-yl]-3-methylurea?
The InChIKey is HHGSEPNRSSEUGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H29N5O2/c1-16-12(5-3-4-8-15)13(20)19-9-6-11(7-10-19)18-14(21)17-2/h11-12,16H,3-10,15H2,1-2H3,(H2,17,18,21).
What are the key properties of 1-[1-[6-amino-2-(methylamino)hexanoyl]piperidin-4-yl]-3-methylurea?
1-[1-[6-amino-2-(methylamino)hexanoyl]piperidin-4-yl]-3-methylurea has a molecular weight of 299.42 g/mol, XLogP of -0.38, 7 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[6-amino-2-(methylamino)hexanoyl]piperidin-4-yl]-3-methylurea is sourced from PubChem (CID 145414129), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).