7-amino-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]heptanamide

C18H31N5O — CID 119897857

IUPAC7-amino-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]heptanamide
SMILESCCc1cc(N2CCC(NC(=O)CCCCCCN)CC2)ncn1
InChIInChI=1S/C18H31N5O/c1-2-15-13-17(21-14-20-15)23-11-8-16(9-12-23)22-18(24)7-5-3-4-6-10-19/h13-14,16H,2-12,19H2,1H3,(H,22,24)
InChIKeyMNSNSPJFQPFIIM-UHFFFAOYSA-N
MW333.48 g/mol
LogP2.03
Rot. Bonds9

About 7-amino-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]heptanamide

7-amino-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]heptanamide (PubChem CID 119897857) has the molecular formula C18H31N5O and a molecular weight of 333.48 g/mol. Its IUPAC name is 7-amino-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]heptanamide.

Molecular Properties

Compound Name7-amino-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]heptanamide
PubChem CID119897857
Molecular FormulaC18H31N5O
Molecular Weight333.48 g/mol
Exact Mass333.25
IUPAC Name7-amino-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]heptanamide
SMILESCCc1cc(N2CCC(NC(=O)CCCCCCN)CC2)ncn1
InChIInChI=1S/C18H31N5O/c1-2-15-13-17(21-14-20-15)23-11-8-16(9-12-23)22-18(24)7-5-3-4-6-10-19/h13-14,16H,2-12,19H2,1H3,(H,22,24)
InChIKeyMNSNSPJFQPFIIM-UHFFFAOYSA-N
XLogP2.03
TPSA84.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.48
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-amino-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]butanamide
CID 119897919
4-amino-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]butanamide;dihydrochloride
CID 119897918
2-amino-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]benzamide;dihydrochloride
CID 119947419
7-amino-N-(1-methylpiperidin-4-yl)heptanamide
CID 43373568
6-chloro-3-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]amino]pyridazine-4-carboxamide
CID 133358123
(2R)-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]piperidine-2-carboxamide;dihydrochloride
CID 119897858
N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-3-propan-2-yloxetane-3-carboxamide
CID 154785490
N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]-1-phenylpyrrolidine-3-carboxamide
CID 136545875
N-[1-(6-ethylpyrimidin-4-yl)piperidin-3-yl]-2-(methylamino)acetamide;hydrochloride
CID 120704514
N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]quinoline-2-carboxamide
CID 154803218
6-amino-N-(1-propylpiperidin-4-yl)hexanamide
CID 61276354
(2S)-2-[[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]amino]-2-phenylacetamide
CID 96525935

Frequently Asked Questions

What is the IUPAC name of 7-amino-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]heptanamide?
The IUPAC name of 7-amino-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]heptanamide (CID 119897857) is 7-amino-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]heptanamide.
What is the SMILES notation for 7-amino-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]heptanamide?
The canonical SMILES for 7-amino-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]heptanamide is CCc1cc(N2CCC(NC(=O)CCCCCCN)CC2)ncn1.
What is the InChIKey of 7-amino-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]heptanamide?
The InChIKey is MNSNSPJFQPFIIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H31N5O/c1-2-15-13-17(21-14-20-15)23-11-8-16(9-12-23)22-18(24)7-5-3-4-6-10-19/h13-14,16H,2-12,19H2,1H3,(H,22,24).
What are the key properties of 7-amino-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]heptanamide?
7-amino-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]heptanamide has a molecular weight of 333.48 g/mol, XLogP of 2.03, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-amino-N-[1-(6-ethylpyrimidin-4-yl)piperidin-4-yl]heptanamide is sourced from PubChem (CID 119897857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).