N-[(1S,2S,4S)-4-(4-carbamoylpiperidine-1-carbonyl)-2-hydroxycyclopentyl]pyrazine-2-carboxamide

C17H23N5O4 — CID 157013648

IUPACN-[(1S,2S,4S)-4-(4-carbamoylpiperidine-1-carbonyl)-2-hydroxycyclopentyl]pyrazine-2-carboxamide
SMILESNC(=O)C1CCN(C(=O)[C@H]2C[C@H](NC(=O)c3cnccn3)[C@@H](O)C2)CC1
InChIInChI=1S/C17H23N5O4/c18-15(24)10-1-5-22(6-2-10)17(26)11-7-12(14(23)8-11)21-16(25)13-9-19-3-4-20-13/h3-4,9-12,14,23H,1-2,5-8H2,(H2,18,24)(H,21,25)/t11-,12-,14-/m0/s1
InChIKeyBFLZYDOGNKBAST-OBJOEFQTSA-N
MW361.40 g/mol
LogP-0.93
Rot. Bonds4

About N-[(1S,2S,4S)-4-(4-carbamoylpiperidine-1-carbonyl)-2-hydroxycyclopentyl]pyrazine-2-carboxamide

N-[(1S,2S,4S)-4-(4-carbamoylpiperidine-1-carbonyl)-2-hydroxycyclopentyl]pyrazine-2-carboxamide (PubChem CID 157013648) has the molecular formula C17H23N5O4 and a molecular weight of 361.40 g/mol. Its IUPAC name is N-[(1S,2S,4S)-4-(4-carbamoylpiperidine-1-carbonyl)-2-hydroxycyclopentyl]pyrazine-2-carboxamide.

Molecular Properties

Compound NameN-[(1S,2S,4S)-4-(4-carbamoylpiperidine-1-carbonyl)-2-hydroxycyclopentyl]pyrazine-2-carboxamide
PubChem CID157013648
Molecular FormulaC17H23N5O4
Molecular Weight361.40 g/mol
Exact Mass361.18
IUPAC NameN-[(1S,2S,4S)-4-(4-carbamoylpiperidine-1-carbonyl)-2-hydroxycyclopentyl]pyrazine-2-carboxamide
SMILESNC(=O)C1CCN(C(=O)[C@H]2C[C@H](NC(=O)c3cnccn3)[C@@H](O)C2)CC1
InChIInChI=1S/C17H23N5O4/c18-15(24)10-1-5-22(6-2-10)17(26)11-7-12(14(23)8-11)21-16(25)13-9-19-3-4-20-13/h3-4,9-12,14,23H,1-2,5-8H2,(H2,18,24)(H,21,25)/t11-,12-,14-/m0/s1
InChIKeyBFLZYDOGNKBAST-OBJOEFQTSA-N
XLogP-0.93
TPSA138.51 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.40
LogP ≤ 5-0.93
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1S,2S,4S)-4-(4-carbamoylpiperidine-1-carbonyl)-2-hydroxycyclopentyl]pyrazine-2-carboxamide?
The IUPAC name of N-[(1S,2S,4S)-4-(4-carbamoylpiperidine-1-carbonyl)-2-hydroxycyclopentyl]pyrazine-2-carboxamide (CID 157013648) is N-[(1S,2S,4S)-4-(4-carbamoylpiperidine-1-carbonyl)-2-hydroxycyclopentyl]pyrazine-2-carboxamide.
What is the SMILES notation for N-[(1S,2S,4S)-4-(4-carbamoylpiperidine-1-carbonyl)-2-hydroxycyclopentyl]pyrazine-2-carboxamide?
The canonical SMILES for N-[(1S,2S,4S)-4-(4-carbamoylpiperidine-1-carbonyl)-2-hydroxycyclopentyl]pyrazine-2-carboxamide is NC(=O)C1CCN(C(=O)[C@H]2C[C@H](NC(=O)c3cnccn3)[C@@H](O)C2)CC1.
What is the InChIKey of N-[(1S,2S,4S)-4-(4-carbamoylpiperidine-1-carbonyl)-2-hydroxycyclopentyl]pyrazine-2-carboxamide?
The InChIKey is BFLZYDOGNKBAST-OBJOEFQTSA-N. The full InChI is InChI=1S/C17H23N5O4/c18-15(24)10-1-5-22(6-2-10)17(26)11-7-12(14(23)8-11)21-16(25)13-9-19-3-4-20-13/h3-4,9-12,14,23H,1-2,5-8H2,(H2,18,24)(H,21,25)/t11-,12-,14-/m0/s1.
What are the key properties of N-[(1S,2S,4S)-4-(4-carbamoylpiperidine-1-carbonyl)-2-hydroxycyclopentyl]pyrazine-2-carboxamide?
N-[(1S,2S,4S)-4-(4-carbamoylpiperidine-1-carbonyl)-2-hydroxycyclopentyl]pyrazine-2-carboxamide has a molecular weight of 361.40 g/mol, XLogP of -0.93, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1S,2S,4S)-4-(4-carbamoylpiperidine-1-carbonyl)-2-hydroxycyclopentyl]pyrazine-2-carboxamide is sourced from PubChem (CID 157013648), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).