4-(5-chloro-2-pyridinyl)-N-[3-(cyclopentylamino)-3-oxopropyl]piperazine-1-carboxamide

C18H26ClN5O2 — CID 86850577

IUPAC4-(5-chloro-2-pyridinyl)-N-[3-(cyclopentylamino)-3-oxopropyl]piperazine-1-carboxamide
SMILESO=C(CCNC(=O)N1CCN(c2ccc(Cl)cn2)CC1)NC1CCCC1
InChIInChI=1S/C18H26ClN5O2/c19-14-5-6-16(21-13-14)23-9-11-24(12-10-23)18(26)20-8-7-17(25)22-15-3-1-2-4-15/h5-6,13,15H,1-4,7-12H2,(H,20,26)(H,22,25)
InChIKeyLRVRKFOHQXNMOS-UHFFFAOYSA-N
MW379.89 g/mol
LogP2.02
Rot. Bonds5

About 4-(5-chloro-2-pyridinyl)-N-[3-(cyclopentylamino)-3-oxopropyl]piperazine-1-carboxamide

4-(5-chloro-2-pyridinyl)-N-[3-(cyclopentylamino)-3-oxopropyl]piperazine-1-carboxamide (PubChem CID 86850577) has the molecular formula C18H26ClN5O2 and a molecular weight of 379.89 g/mol. Its IUPAC name is 4-(5-chloro-2-pyridinyl)-N-[3-(cyclopentylamino)-3-oxopropyl]piperazine-1-carboxamide.

Molecular Properties

Compound Name4-(5-chloro-2-pyridinyl)-N-[3-(cyclopentylamino)-3-oxopropyl]piperazine-1-carboxamide
PubChem CID86850577
Molecular FormulaC18H26ClN5O2
Molecular Weight379.89 g/mol
Exact Mass379.18
IUPAC Name4-(5-chloro-2-pyridinyl)-N-[3-(cyclopentylamino)-3-oxopropyl]piperazine-1-carboxamide
SMILESO=C(CCNC(=O)N1CCN(c2ccc(Cl)cn2)CC1)NC1CCCC1
InChIInChI=1S/C18H26ClN5O2/c19-14-5-6-16(21-13-14)23-9-11-24(12-10-23)18(26)20-8-7-17(25)22-15-3-1-2-4-15/h5-6,13,15H,1-4,7-12H2,(H,20,26)(H,22,25)
InChIKeyLRVRKFOHQXNMOS-UHFFFAOYSA-N
XLogP2.02
TPSA77.57 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.89
LogP ≤ 52.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloro-2-pyridinyl)-N-[3-(cyclopentylamino)-3-oxopropyl]piperazine-1-carboxamide?
The IUPAC name of 4-(5-chloro-2-pyridinyl)-N-[3-(cyclopentylamino)-3-oxopropyl]piperazine-1-carboxamide (CID 86850577) is 4-(5-chloro-2-pyridinyl)-N-[3-(cyclopentylamino)-3-oxopropyl]piperazine-1-carboxamide.
What is the SMILES notation for 4-(5-chloro-2-pyridinyl)-N-[3-(cyclopentylamino)-3-oxopropyl]piperazine-1-carboxamide?
The canonical SMILES for 4-(5-chloro-2-pyridinyl)-N-[3-(cyclopentylamino)-3-oxopropyl]piperazine-1-carboxamide is O=C(CCNC(=O)N1CCN(c2ccc(Cl)cn2)CC1)NC1CCCC1.
What is the InChIKey of 4-(5-chloro-2-pyridinyl)-N-[3-(cyclopentylamino)-3-oxopropyl]piperazine-1-carboxamide?
The InChIKey is LRVRKFOHQXNMOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26ClN5O2/c19-14-5-6-16(21-13-14)23-9-11-24(12-10-23)18(26)20-8-7-17(25)22-15-3-1-2-4-15/h5-6,13,15H,1-4,7-12H2,(H,20,26)(H,22,25).
What are the key properties of 4-(5-chloro-2-pyridinyl)-N-[3-(cyclopentylamino)-3-oxopropyl]piperazine-1-carboxamide?
4-(5-chloro-2-pyridinyl)-N-[3-(cyclopentylamino)-3-oxopropyl]piperazine-1-carboxamide has a molecular weight of 379.89 g/mol, XLogP of 2.02, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloro-2-pyridinyl)-N-[3-(cyclopentylamino)-3-oxopropyl]piperazine-1-carboxamide is sourced from PubChem (CID 86850577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).