N-(cyclopropylmethyl)-1-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide

C19H29N5O — CID 53170507

IUPACN-(cyclopropylmethyl)-1-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
SMILESO=C(NCC1CC1)C1CCN(c2cc(N3CCCCC3)ncn2)CC1
InChIInChI=1S/C19H29N5O/c25-19(20-13-15-4-5-15)16-6-10-24(11-7-16)18-12-17(21-14-22-18)23-8-2-1-3-9-23/h12,14-16H,1-11,13H2,(H,20,25)
InChIKeyXSYUHOBUTCWGDV-UHFFFAOYSA-N
MW343.48 g/mol
LogP2.21
Rot. Bonds5

About N-(cyclopropylmethyl)-1-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide

N-(cyclopropylmethyl)-1-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide (PubChem CID 53170507) has the molecular formula C19H29N5O and a molecular weight of 343.48 g/mol. Its IUPAC name is N-(cyclopropylmethyl)-1-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide.

Molecular Properties

Compound NameN-(cyclopropylmethyl)-1-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
PubChem CID53170507
Molecular FormulaC19H29N5O
Molecular Weight343.48 g/mol
Exact Mass343.24
IUPAC NameN-(cyclopropylmethyl)-1-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide
SMILESO=C(NCC1CC1)C1CCN(c2cc(N3CCCCC3)ncn2)CC1
InChIInChI=1S/C19H29N5O/c25-19(20-13-15-4-5-15)16-6-10-24(11-7-16)18-12-17(21-14-22-18)23-8-2-1-3-9-23/h12,14-16H,1-11,13H2,(H,20,25)
InChIKeyXSYUHOBUTCWGDV-UHFFFAOYSA-N
XLogP2.21
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.48
LogP ≤ 52.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-(cyclopropylmethyl)-1-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide?
The IUPAC name of N-(cyclopropylmethyl)-1-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide (CID 53170507) is N-(cyclopropylmethyl)-1-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide.
What is the SMILES notation for N-(cyclopropylmethyl)-1-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide?
The canonical SMILES for N-(cyclopropylmethyl)-1-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide is O=C(NCC1CC1)C1CCN(c2cc(N3CCCCC3)ncn2)CC1.
What is the InChIKey of N-(cyclopropylmethyl)-1-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide?
The InChIKey is XSYUHOBUTCWGDV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H29N5O/c25-19(20-13-15-4-5-15)16-6-10-24(11-7-16)18-12-17(21-14-22-18)23-8-2-1-3-9-23/h12,14-16H,1-11,13H2,(H,20,25).
What are the key properties of N-(cyclopropylmethyl)-1-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide?
N-(cyclopropylmethyl)-1-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide has a molecular weight of 343.48 g/mol, XLogP of 2.21, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyclopropylmethyl)-1-(6-piperidin-1-ylpyrimidin-4-yl)piperidine-4-carboxamide is sourced from PubChem (CID 53170507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).