1-(naphthalene-1-carbonyl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidine-3-carboxamide

C27H32N6O2 — CID 55933319

IUPAC1-(naphthalene-1-carbonyl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidine-3-carboxamide
SMILESO=C(NCCN1CCN(c2ncccn2)CC1)C1CCCN(C(=O)c2cccc3ccccc23)C1
InChIInChI=1S/C27H32N6O2/c34-25(28-13-15-31-16-18-32(19-17-31)27-29-11-5-12-30-27)22-8-4-14-33(20-22)26(35)24-10-3-7-21-6-1-2-9-23(21)24/h1-3,5-7,9-12,22H,4,8,13-20H2,(H,28,34)
InChIKeyZFUBFPBLIWVOBD-UHFFFAOYSA-N
MW472.59 g/mol
LogP2.42
Rot. Bonds6

About 1-(naphthalene-1-carbonyl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidine-3-carboxamide

1-(naphthalene-1-carbonyl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidine-3-carboxamide (PubChem CID 55933319) has the molecular formula C27H32N6O2 and a molecular weight of 472.59 g/mol. Its IUPAC name is 1-(naphthalene-1-carbonyl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidine-3-carboxamide.

Molecular Properties

Compound Name1-(naphthalene-1-carbonyl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidine-3-carboxamide
PubChem CID55933319
Molecular FormulaC27H32N6O2
Molecular Weight472.59 g/mol
Exact Mass472.26
IUPAC Name1-(naphthalene-1-carbonyl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidine-3-carboxamide
SMILESO=C(NCCN1CCN(c2ncccn2)CC1)C1CCCN(C(=O)c2cccc3ccccc23)C1
InChIInChI=1S/C27H32N6O2/c34-25(28-13-15-31-16-18-32(19-17-31)27-29-11-5-12-30-27)22-8-4-14-33(20-22)26(35)24-10-3-7-21-6-1-2-9-23(21)24/h1-3,5-7,9-12,22H,4,8,13-20H2,(H,28,34)
InChIKeyZFUBFPBLIWVOBD-UHFFFAOYSA-N
XLogP2.42
TPSA81.67 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.59
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[2-(2-methylpropanoylamino)ethyl]-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 46510601
N-(3-methylbutyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 51239994
1-(naphthalene-1-carbonyl)-N-(3-phenylpropyl)piperidine-3-carboxamide
CID 55430075
N-hexyl-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 74627325
N-(2-methoxyethyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 51239971
(3R)-1-(naphthalene-1-carbonyl)piperidine-3-carboxylic acid
CID 7131658
N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]naphthalene-1-carboxamide
CID 31413484
1-(naphthalene-1-carbonyl)-N-[(6-pyrrolidin-1-yl-3-pyridinyl)methyl]piperidine-3-carboxamide
CID 55585816
1-[2-(4-fluorophenyl)acetyl]-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperidine-3-carboxamide
CID 55824177
N-(furan-2-ylmethyl)-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 51239969
(3R)-N-ethoxy-1-(naphthalene-1-carbonyl)piperidine-3-carboxamide
CID 31099034
1-naphthalen-1-yl-5-oxo-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]pyrrolidine-3-carboxamide
CID 46545515

Frequently Asked Questions

What is the IUPAC name of 1-(naphthalene-1-carbonyl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidine-3-carboxamide?
The IUPAC name of 1-(naphthalene-1-carbonyl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidine-3-carboxamide (CID 55933319) is 1-(naphthalene-1-carbonyl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidine-3-carboxamide.
What is the SMILES notation for 1-(naphthalene-1-carbonyl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidine-3-carboxamide?
The canonical SMILES for 1-(naphthalene-1-carbonyl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidine-3-carboxamide is O=C(NCCN1CCN(c2ncccn2)CC1)C1CCCN(C(=O)c2cccc3ccccc23)C1.
What is the InChIKey of 1-(naphthalene-1-carbonyl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidine-3-carboxamide?
The InChIKey is ZFUBFPBLIWVOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H32N6O2/c34-25(28-13-15-31-16-18-32(19-17-31)27-29-11-5-12-30-27)22-8-4-14-33(20-22)26(35)24-10-3-7-21-6-1-2-9-23(21)24/h1-3,5-7,9-12,22H,4,8,13-20H2,(H,28,34).
What are the key properties of 1-(naphthalene-1-carbonyl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidine-3-carboxamide?
1-(naphthalene-1-carbonyl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidine-3-carboxamide has a molecular weight of 472.59 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(naphthalene-1-carbonyl)-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidine-3-carboxamide is sourced from PubChem (CID 55933319), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).