N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrrolidine-2-carboxamide

C15H24N6O — CID 119902310

IUPACN-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrrolidine-2-carboxamide
SMILESO=C(NCCN1CCN(c2ncccn2)CC1)C1CCCN1
InChIInChI=1S/C15H24N6O/c22-14(13-3-1-4-16-13)17-7-8-20-9-11-21(12-10-20)15-18-5-2-6-19-15/h2,5-6,13,16H,1,3-4,7-12H2,(H,17,22)
InChIKeyBYQLACVLOIRXSN-UHFFFAOYSA-N
MW304.40 g/mol
LogP-0.53
Rot. Bonds5

About N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrrolidine-2-carboxamide

N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrrolidine-2-carboxamide (PubChem CID 119902310) has the molecular formula C15H24N6O and a molecular weight of 304.40 g/mol. Its IUPAC name is N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrrolidine-2-carboxamide
PubChem CID119902310
Molecular FormulaC15H24N6O
Molecular Weight304.40 g/mol
Exact Mass304.20
IUPAC NameN-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrrolidine-2-carboxamide
SMILESO=C(NCCN1CCN(c2ncccn2)CC1)C1CCCN1
InChIInChI=1S/C15H24N6O/c22-14(13-3-1-4-16-13)17-7-8-20-9-11-21(12-10-20)15-18-5-2-6-19-15/h2,5-6,13,16H,1,3-4,7-12H2,(H,17,22)
InChIKeyBYQLACVLOIRXSN-UHFFFAOYSA-N
XLogP-0.53
TPSA73.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.40
LogP ≤ 5-0.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S)-N-(2-pyrrolidin-1-ylethyl)pyrrolidine-2-carboxamide
CID 61154018
N-[2-(4-methylpiperazin-1-yl)ethyl]pyrrolidine-2-carboxamide
CID 60717706
N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperidine-3-carboxamide;trihydrochloride
CID 119901292
(2R)-N-[2-(4-methylpiperidin-1-yl)ethyl]pyrrolidine-2-carboxamide
CID 103813586
N-[2-[4-(dimethylamino)piperidin-1-yl]ethyl]pyrrolidine-2-carboxamide
CID 119895451
(2S,4S)-2-methyl-N-[3-(4-pyrimidin-2-ylpiperazin-1-yl)propyl]piperidine-4-carboxamide;hydrochloride
CID 120632247
3-piperidin-3-yl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]butanamide
CID 119902288
1-butanoyl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]piperidine-4-carboxamide
CID 55931675
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]piperidine-2-carboxamide
CID 119850094
3-piperidin-4-yl-N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]butanamide
CID 119902308
N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]cyclopentanamine
CID 60849987
N-[2-(2-morpholin-4-ylethylamino)-2-oxoethyl]pyrrolidine-2-carboxamide
CID 119863890

Frequently Asked Questions

What is the IUPAC name of N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrrolidine-2-carboxamide?
The IUPAC name of N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrrolidine-2-carboxamide (CID 119902310) is N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrrolidine-2-carboxamide?
The canonical SMILES for N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrrolidine-2-carboxamide is O=C(NCCN1CCN(c2ncccn2)CC1)C1CCCN1.
What is the InChIKey of N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrrolidine-2-carboxamide?
The InChIKey is BYQLACVLOIRXSN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N6O/c22-14(13-3-1-4-16-13)17-7-8-20-9-11-21(12-10-20)15-18-5-2-6-19-15/h2,5-6,13,16H,1,3-4,7-12H2,(H,17,22).
What are the key properties of N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrrolidine-2-carboxamide?
N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrrolidine-2-carboxamide has a molecular weight of 304.40 g/mol, XLogP of -0.53, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-pyrimidin-2-ylpiperazin-1-yl)ethyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 119902310), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).