N-cyclopentyl-2-[4-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)amino]piperidin-1-yl]acetamide

C20H31N5O2 — CID 135719646

IUPACN-cyclopentyl-2-[4-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)amino]piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(Nc2nc3c(c(=O)[nH]2)CCCC3)CC1)NC1CCCC1
InChIInChI=1S/C20H31N5O2/c26-18(21-14-5-1-2-6-14)13-25-11-9-15(10-12-25)22-20-23-17-8-4-3-7-16(17)19(27)24-20/h14-15H,1-13H2,(H,21,26)(H2,22,23,24,27)
InChIKeyPGFBVGDTCNNXQC-UHFFFAOYSA-N
MW373.50 g/mol
LogP1.58
Rot. Bonds5

About N-cyclopentyl-2-[4-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)amino]piperidin-1-yl]acetamide

N-cyclopentyl-2-[4-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)amino]piperidin-1-yl]acetamide (PubChem CID 135719646) has the molecular formula C20H31N5O2 and a molecular weight of 373.50 g/mol. Its IUPAC name is N-cyclopentyl-2-[4-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)amino]piperidin-1-yl]acetamide.

Molecular Properties

Compound NameN-cyclopentyl-2-[4-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)amino]piperidin-1-yl]acetamide
PubChem CID135719646
Molecular FormulaC20H31N5O2
Molecular Weight373.50 g/mol
Exact Mass373.25
IUPAC NameN-cyclopentyl-2-[4-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)amino]piperidin-1-yl]acetamide
SMILESO=C(CN1CCC(Nc2nc3c(c(=O)[nH]2)CCCC3)CC1)NC1CCCC1
InChIInChI=1S/C20H31N5O2/c26-18(21-14-5-1-2-6-14)13-25-11-9-15(10-12-25)22-20-23-17-8-4-3-7-16(17)19(27)24-20/h14-15H,1-13H2,(H,21,26)(H2,22,23,24,27)
InChIKeyPGFBVGDTCNNXQC-UHFFFAOYSA-N
XLogP1.58
TPSA90.12 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.50
LogP ≤ 51.58
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-cyclopentyl-2-[4-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)amino]piperidin-1-yl]acetamide?
The IUPAC name of N-cyclopentyl-2-[4-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)amino]piperidin-1-yl]acetamide (CID 135719646) is N-cyclopentyl-2-[4-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)amino]piperidin-1-yl]acetamide.
What is the SMILES notation for N-cyclopentyl-2-[4-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)amino]piperidin-1-yl]acetamide?
The canonical SMILES for N-cyclopentyl-2-[4-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)amino]piperidin-1-yl]acetamide is O=C(CN1CCC(Nc2nc3c(c(=O)[nH]2)CCCC3)CC1)NC1CCCC1.
What is the InChIKey of N-cyclopentyl-2-[4-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)amino]piperidin-1-yl]acetamide?
The InChIKey is PGFBVGDTCNNXQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H31N5O2/c26-18(21-14-5-1-2-6-14)13-25-11-9-15(10-12-25)22-20-23-17-8-4-3-7-16(17)19(27)24-20/h14-15H,1-13H2,(H,21,26)(H2,22,23,24,27).
What are the key properties of N-cyclopentyl-2-[4-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)amino]piperidin-1-yl]acetamide?
N-cyclopentyl-2-[4-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)amino]piperidin-1-yl]acetamide has a molecular weight of 373.50 g/mol, XLogP of 1.58, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopentyl-2-[4-[(4-oxo-5,6,7,8-tetrahydro-3H-quinazolin-2-yl)amino]piperidin-1-yl]acetamide is sourced from PubChem (CID 135719646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).