N-(4-chlorophenyl)-N-(cyclopropylmethyl)-4-(5-fluoropyrimidin-2-yl)piperazine-1-carboxamide

C19H21ClFN5O — CID 90350141

IUPACN-(4-chlorophenyl)-N-(cyclopropylmethyl)-4-(5-fluoropyrimidin-2-yl)piperazine-1-carboxamide
SMILESO=C(N1CCN(c2ncc(F)cn2)CC1)N(CC1CC1)c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClFN5O/c20-15-3-5-17(6-4-15)26(13-14-1-2-14)19(27)25-9-7-24(8-10-25)18-22-11-16(21)12-23-18/h3-6,11-12,14H,1-2,7-10,13H2
InChIKeyAORGIIBDJWGMKM-UHFFFAOYSA-N
MW389.86 g/mol
LogP3.43
Rot. Bonds4

About N-(4-chlorophenyl)-N-(cyclopropylmethyl)-4-(5-fluoropyrimidin-2-yl)piperazine-1-carboxamide

N-(4-chlorophenyl)-N-(cyclopropylmethyl)-4-(5-fluoropyrimidin-2-yl)piperazine-1-carboxamide (PubChem CID 90350141) has the molecular formula C19H21ClFN5O and a molecular weight of 389.86 g/mol. Its IUPAC name is N-(4-chlorophenyl)-N-(cyclopropylmethyl)-4-(5-fluoropyrimidin-2-yl)piperazine-1-carboxamide.

Molecular Properties

Compound NameN-(4-chlorophenyl)-N-(cyclopropylmethyl)-4-(5-fluoropyrimidin-2-yl)piperazine-1-carboxamide
PubChem CID90350141
Molecular FormulaC19H21ClFN5O
Molecular Weight389.86 g/mol
Exact Mass389.14
IUPAC NameN-(4-chlorophenyl)-N-(cyclopropylmethyl)-4-(5-fluoropyrimidin-2-yl)piperazine-1-carboxamide
SMILESO=C(N1CCN(c2ncc(F)cn2)CC1)N(CC1CC1)c1ccc(Cl)cc1
InChIInChI=1S/C19H21ClFN5O/c20-15-3-5-17(6-4-15)26(13-14-1-2-14)19(27)25-9-7-24(8-10-25)18-22-11-16(21)12-23-18/h3-6,11-12,14H,1-2,7-10,13H2
InChIKeyAORGIIBDJWGMKM-UHFFFAOYSA-N
XLogP3.43
TPSA52.57 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.86
LogP ≤ 53.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-N-(cyclopropylmethyl)-4-(5-fluoropyrimidin-2-yl)piperazine-1-carboxamide?
The IUPAC name of N-(4-chlorophenyl)-N-(cyclopropylmethyl)-4-(5-fluoropyrimidin-2-yl)piperazine-1-carboxamide (CID 90350141) is N-(4-chlorophenyl)-N-(cyclopropylmethyl)-4-(5-fluoropyrimidin-2-yl)piperazine-1-carboxamide.
What is the SMILES notation for N-(4-chlorophenyl)-N-(cyclopropylmethyl)-4-(5-fluoropyrimidin-2-yl)piperazine-1-carboxamide?
The canonical SMILES for N-(4-chlorophenyl)-N-(cyclopropylmethyl)-4-(5-fluoropyrimidin-2-yl)piperazine-1-carboxamide is O=C(N1CCN(c2ncc(F)cn2)CC1)N(CC1CC1)c1ccc(Cl)cc1.
What is the InChIKey of N-(4-chlorophenyl)-N-(cyclopropylmethyl)-4-(5-fluoropyrimidin-2-yl)piperazine-1-carboxamide?
The InChIKey is AORGIIBDJWGMKM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClFN5O/c20-15-3-5-17(6-4-15)26(13-14-1-2-14)19(27)25-9-7-24(8-10-25)18-22-11-16(21)12-23-18/h3-6,11-12,14H,1-2,7-10,13H2.
What are the key properties of N-(4-chlorophenyl)-N-(cyclopropylmethyl)-4-(5-fluoropyrimidin-2-yl)piperazine-1-carboxamide?
N-(4-chlorophenyl)-N-(cyclopropylmethyl)-4-(5-fluoropyrimidin-2-yl)piperazine-1-carboxamide has a molecular weight of 389.86 g/mol, XLogP of 3.43, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-N-(cyclopropylmethyl)-4-(5-fluoropyrimidin-2-yl)piperazine-1-carboxamide is sourced from PubChem (CID 90350141), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).