N-cycloheptyl-4-pyrimidin-2-ylpiperazine-1-carboxamide

C16H25N5O — CID 108990409

IUPACN-cycloheptyl-4-pyrimidin-2-ylpiperazine-1-carboxamide
SMILESO=C(NC1CCCCCC1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C16H25N5O/c22-16(19-14-6-3-1-2-4-7-14)21-12-10-20(11-13-21)15-17-8-5-9-18-15/h5,8-9,14H,1-4,6-7,10-13H2,(H,19,22)
InChIKeyZAMXKYBNFIIZDR-UHFFFAOYSA-N
MW303.41 g/mol
LogP2.03
Rot. Bonds2

About N-cycloheptyl-4-pyrimidin-2-ylpiperazine-1-carboxamide

N-cycloheptyl-4-pyrimidin-2-ylpiperazine-1-carboxamide (PubChem CID 108990409) has the molecular formula C16H25N5O and a molecular weight of 303.41 g/mol. Its IUPAC name is N-cycloheptyl-4-pyrimidin-2-ylpiperazine-1-carboxamide.

Molecular Properties

Compound NameN-cycloheptyl-4-pyrimidin-2-ylpiperazine-1-carboxamide
PubChem CID108990409
Molecular FormulaC16H25N5O
Molecular Weight303.41 g/mol
Exact Mass303.21
IUPAC NameN-cycloheptyl-4-pyrimidin-2-ylpiperazine-1-carboxamide
SMILESO=C(NC1CCCCCC1)N1CCN(c2ncccn2)CC1
InChIInChI=1S/C16H25N5O/c22-16(19-14-6-3-1-2-4-7-14)21-12-10-20(11-13-21)15-17-8-5-9-18-15/h5,8-9,14H,1-4,6-7,10-13H2,(H,19,22)
InChIKeyZAMXKYBNFIIZDR-UHFFFAOYSA-N
XLogP2.03
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.41
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-cycloheptyl-3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 108950957
N-cyclohexyl-4-(4-pyrimidin-2-ylpiperazine-1-carbonyl)cyclohexane-1-carboxamide
CID 109146126
N-cyclohexyl-4-phenylpiperazine-1-carboxamide
CID 858165
N-cyclopropyl-2-oxo-2-(4-pyrimidin-2-ylpiperazin-1-yl)acetamide
CID 47281905
N-cycloheptyl-4-quinolin-8-ylpiperazine-1-carboxamide
CID 113110634
4-acetyl-N-[(3R)-1-pyrimidin-2-ylpiperidin-3-yl]-1,4-diazepane-1-carboxamide
CID 94031653
N-(cyclopentylcarbamoyl)-2-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 17447432
N-cyclopentyl-4-oxo-4-(4-pyrimidin-2-yl-1,4-diazepan-1-yl)butanamide
CID 46987810
4-(2-hydroxyphenyl)-N-(1-pyrimidin-2-ylpiperidin-3-yl)piperazine-1-carboxamide
CID 55809308
N-(1-benzylpiperidin-3-yl)-4-pyrimidin-2-yl-1,4-diazepane-1-carboxamide
CID 119066540
N-cyclohexyl-4-(4-hydroxyphenyl)piperazine-1-carboxamide
CID 4169539
N-cyclopropyl-2,2-dimethyl-3-oxo-3-(4-pyrimidin-2-ylpiperazin-1-yl)propanamide
CID 108957439

Frequently Asked Questions

What is the IUPAC name of N-cycloheptyl-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The IUPAC name of N-cycloheptyl-4-pyrimidin-2-ylpiperazine-1-carboxamide (CID 108990409) is N-cycloheptyl-4-pyrimidin-2-ylpiperazine-1-carboxamide.
What is the SMILES notation for N-cycloheptyl-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The canonical SMILES for N-cycloheptyl-4-pyrimidin-2-ylpiperazine-1-carboxamide is O=C(NC1CCCCCC1)N1CCN(c2ncccn2)CC1.
What is the InChIKey of N-cycloheptyl-4-pyrimidin-2-ylpiperazine-1-carboxamide?
The InChIKey is ZAMXKYBNFIIZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O/c22-16(19-14-6-3-1-2-4-7-14)21-12-10-20(11-13-21)15-17-8-5-9-18-15/h5,8-9,14H,1-4,6-7,10-13H2,(H,19,22).
What are the key properties of N-cycloheptyl-4-pyrimidin-2-ylpiperazine-1-carboxamide?
N-cycloheptyl-4-pyrimidin-2-ylpiperazine-1-carboxamide has a molecular weight of 303.41 g/mol, XLogP of 2.03, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-cycloheptyl-4-pyrimidin-2-ylpiperazine-1-carboxamide is sourced from PubChem (CID 108990409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).