(3S)-N-cyclopropyl-1-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]piperidine-3-carboxamide

C18H26FN5O — CID 95556528

IUPAC(3S)-N-cyclopropyl-1-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]piperidine-3-carboxamide
SMILESO=C(NC1CC1)[C@H]1CCCN(C2CCN(c3ncc(F)cn3)CC2)C1
InChIInChI=1S/C18H26FN5O/c19-14-10-20-18(21-11-14)23-8-5-16(6-9-23)24-7-1-2-13(12-24)17(25)22-15-3-4-15/h10-11,13,15-16H,1-9,12H2,(H,22,25)/t13-/m0/s1
InChIKeyNNAKYUORAJFEJO-ZDUSSCGKSA-N
MW347.44 g/mol
LogP1.58
Rot. Bonds4

About (3S)-N-cyclopropyl-1-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]piperidine-3-carboxamide

(3S)-N-cyclopropyl-1-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]piperidine-3-carboxamide (PubChem CID 95556528) has the molecular formula C18H26FN5O and a molecular weight of 347.44 g/mol. Its IUPAC name is (3S)-N-cyclopropyl-1-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3S)-N-cyclopropyl-1-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]piperidine-3-carboxamide
PubChem CID95556528
Molecular FormulaC18H26FN5O
Molecular Weight347.44 g/mol
Exact Mass347.21
IUPAC Name(3S)-N-cyclopropyl-1-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]piperidine-3-carboxamide
SMILESO=C(NC1CC1)[C@H]1CCCN(C2CCN(c3ncc(F)cn3)CC2)C1
InChIInChI=1S/C18H26FN5O/c19-14-10-20-18(21-11-14)23-8-5-16(6-9-23)24-7-1-2-13(12-24)17(25)22-15-3-4-15/h10-11,13,15-16H,1-9,12H2,(H,22,25)/t13-/m0/s1
InChIKeyNNAKYUORAJFEJO-ZDUSSCGKSA-N
XLogP1.58
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 51.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S)-N-cyclopropyl-1-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]piperidine-3-carboxamide?
The IUPAC name of (3S)-N-cyclopropyl-1-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]piperidine-3-carboxamide (CID 95556528) is (3S)-N-cyclopropyl-1-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3S)-N-cyclopropyl-1-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]piperidine-3-carboxamide?
The canonical SMILES for (3S)-N-cyclopropyl-1-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]piperidine-3-carboxamide is O=C(NC1CC1)[C@H]1CCCN(C2CCN(c3ncc(F)cn3)CC2)C1.
What is the InChIKey of (3S)-N-cyclopropyl-1-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]piperidine-3-carboxamide?
The InChIKey is NNAKYUORAJFEJO-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H26FN5O/c19-14-10-20-18(21-11-14)23-8-5-16(6-9-23)24-7-1-2-13(12-24)17(25)22-15-3-4-15/h10-11,13,15-16H,1-9,12H2,(H,22,25)/t13-/m0/s1.
What are the key properties of (3S)-N-cyclopropyl-1-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]piperidine-3-carboxamide?
(3S)-N-cyclopropyl-1-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]piperidine-3-carboxamide has a molecular weight of 347.44 g/mol, XLogP of 1.58, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S)-N-cyclopropyl-1-[1-(5-fluoropyrimidin-2-yl)piperidin-4-yl]piperidine-3-carboxamide is sourced from PubChem (CID 95556528), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).